A0A061I6Q1_CRIGR Loading...

Myotubularin-related protein 10

AlphaFold DB , UniProt , Accession A0A061I6Q1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Mtmr10, Length 771 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	33.9	Very low	35.9	Very low	225 Å²	225	163.7 Å²	163.7	100%	1.108	85%	0.853	S	S	*	*				0	112.6	0	-74.8	-178.9	-179.7	0	0	106.4
2	F	30.6	Very low	35.9	Very low	186 Å²	186	168.1 Å²	168.1	82%	0.816	85%	0.849	S	S	*	*			cis	-146.7	131.6	15.5	-84.2	-91.5	0	0	0	107.5
3	S	29.4	Very low	36.1	Very low	108 Å²	108	162.1 Å²	162.1	76%	0.755	83%	0.832	S	S	*	*				69.5	96.4	100.6	-162.9	0	0	0	0	115.4
4	L	36	Very low	36.2	Very low	174 Å²	174	165.5 Å²	165.5	91%	0.911	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-91.5	117.2	161.5	-80.6	157.4	0	0	0	108.3
5	K	35.1	Very low	36.4	Very low	191 Å²	191	164.5 Å²	164.5	83%	0.83	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-74.6	136.9	167.8	-76.9	178	176.3	173.1	0	109.6
6	P	40.3	Very low	36.5	Very low	110 Å²	110	164.8 Å²	164.8	71%	0.714	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-79.5	154	168.1	31.7	-31.3	0	0	0	111.3
7	P	36.3	Very low	36.5	Very low	128 Å²	128	161.7 Å²	161.7	83%	0.831	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-71.8	144.3	179.4	29.5	-32.2	0	0	0	111.5
8	R	36	Very low	36.6	Very low	239 Å²	239	159.1 Å²	159.1	90%	0.902	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-73.4	138.6	174.6	-71.5	179.5	174.8	174	-2.4	110.5
9	P	40.2	Very low	36.4	Very low	128 Å²	128	157.4 Å²	157.4	83%	0.831	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-76.1	128.7	168.5	29.1	-30	0	0	0	110.6
10	S	40.3	Very low	36.2	Very low	119 Å²	119	158.3 Å²	158.3	83%	0.832	82%	0.822	S	S	*	*			trans	-98.4	85.5	172.3	58.3	0	0	0	0	110.3
11	F	36.8	Very low	35.9	Very low	193 Å²	193	157.3 Å²	157.3	85%	0.846	82%	0.823	S	S	*	*			trans	-156.3	117.3	155.5	-152.6	-101.3	0	0	0	109.4
12	R	36.1	Very low	35.9	Very low	216 Å²	216	152.9 Å²	152.9	82%	0.815	80%	0.804	S	S	*	*			trans	-110.5	115.7	168.9	-85.3	-174.2	174.1	-168.9	-2.5	107.3
13	S	38.8	Very low	35.9	Very low	90 Å²	90	151.9 Å²	151.9	63%	0.629	81%	0.807	S	S	*	*			trans	-74.1	131.9	168.5	-178.1	0	0	0	0	109.4
14	Y	37.6	Very low	36.2	Very low	210 Å²	210	156.2 Å²	156.2	82%	0.824	81%	0.812	S	S	*	*			trans	-99.5	49.3	179.8	-74.6	-83.3	0	0	0	112.2
15	L	38.6	Very low	35.9	Very low	150 Å²	150	153.2 Å²	153.2	79%	0.785	81%	0.806	S	S	*	*			trans	-113	116.6	170.5	-66.7	174.3	0	0	0	109.2
16	L	38.4	Very low	35.5	Very low	169 Å²	169	149.6 Å²	149.6	89%	0.885	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-59.4	137.4	172.8	-81.3	153.2	0	0	0	110
17	P	35.9	Very low	35.2	Very low	113 Å²	113	149.5 Å²	149.5	73%	0.734	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-77.3	141.1	174.5	27.3	-24.5	0	0	0	110.7
18	P	37.7	Very low	34.9	Very low	115 Å²	115	151.5 Å²	151.5	75%	0.747	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-70.2	159.7	169.1	29	-30.8	0	0	0	111
19	P	33	Very low	34.8	Very low	127 Å²	127	145.6 Å²	145.6	83%	0.825	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-66.1	141	-166.8	-7.2	20.6	0	0	0	112.2	T21	P19-T21 PolarHBondContact O-N 3.35Å
20	Q	32.3	Very low	34.5	Very low	175 Å²	175	148.9 Å²	148.9	82%	0.818	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-63.5	118.9	175.5	-66.9	177.2	-18.7	0	0	110.9
21	T	30.1	Very low	35	Very low	137 Å²	137	150.7 Å²	150.7	84%	0.84	80%	0.797	S	S	*	*			trans	-102.6	108.8	145.8	46.2	0	0	0	0	106.7	P19 D23	P19-T21 PolarHBondContact O-N 3.35Å; T21-D23 PolarHBondContact O-N 3.16Å; T21-D23 VanDerWaalsContact O-N 3.16Å
22	D	34.8	Very low	36	Very low	133 Å²	133	148.8 Å²	148.8	71%	0.711	79%	0.789	S	S	*	*			trans	-59.2	109.1	171.6	-85	-46.6	0	0	0	109.9
23	D	30.2	Very low	37.6	Very low	164 Å²	164	146.2 Å²	146.2	88%	0.877	78%	0.783	S	S	*	*			trans	-139.5	101.2	148.7	-103.5	-27	0	0	0	108.8	T21 S25	T21-D23 PolarHBondContact O-N 3.16Å; T21-D23 VanDerWaalsContact O-N 3.16Å; D23-S25 PolarHBondContact O-N 3.21Å
24	K	35.3	Very low	39.5	Very low	200 Å²	200	143.7 Å²	143.7	87%	0.87	76%	0.762	S	S	*	*			trans	-74	102.5	175.3	-79.8	176	175	170.6	0	109.9
25	S	30.5	Very low	41.6	Very low	110 Å²	110	139.2 Å²	139.2	77%	0.769	75%	0.749	S	S	*	*			trans	-160.4	62.2	138.8	71.6	0	0	0	0	111.4	D23 S27	D23-S25 PolarHBondContact O-N 3.21Å; S25-S27 VanDerWaalsContact C-N 3.32Å; S25-S27 PolarHBondContact O-N 3.25Å
26	S	27.2	Very low	43.7	Very low	116 Å²	116	133.6 Å²	133.6	81%	0.811	72%	0.722	S	S	*	*			trans	-75.2	90.1	162.8	60.8	0	0	0	0	108.4	E28	S26-E28 PolarHBondContact O-N 3.06Å
27	S	32.7	Very low	46	Very low	108 Å²	108	131.4 Å²	131.4	76%	0.755	72%	0.715	S	S	*	*			trans	-63.1	105.4	156.7	55.3	0	0	0	0	106.7	S25	S25-S27 VanDerWaalsContact C-N 3.32Å; S25-S27 PolarHBondContact O-N 3.25Å
28	E	29.9	Very low	48.7	Very low	170 Å²	170	129.5 Å²	129.5	79%	0.794	70%	0.698	S	S	*	*			trans	-47.2	131.2	160.8	-76.9	-179.5	154.6	0	0	107.4	S26 K30	S26-E28 PolarHBondContact O-N 3.06Å; E28-K30 PolarHBondContact O-N 2.89Å
29	P	35.2	Very low	51.4	Low	115 Å²	115	125.3 Å²	125.3	75%	0.747	67%	0.67	S	S	*	*			trans	-60.6	107	174.1	24.3	-30	0	0	0	106.3	I31	P29-I31 VanDerWaalsContact C-N 3.29Å; P29-I31 PolarHBondContact O-N 3.22Å
30	K	34.2	Very low	54.2	Low	196 Å²	196	122.5 Å²	122.5	85%	0.852	65%	0.651	S	S	*	*			trans	-57.4	100.6	169.1	-77	-178.6	178	178	0	105.6	E28 K32	E28-K30 PolarHBondContact O-N 2.89Å; K30-K32 VanDerWaalsContact C-N 3.34Å; K30-K32 PolarHBondContact O-N 2.96Å
31	I	49.2	Very low	57	Low	158 Å²	158	114.8 Å²	114.8	81%	0.81	62%	0.619	S	S	*	*			trans	-54.7	106.8	169.1	-61.7	172.5	0	0	0	104.6	P29 K33	P29-I31 VanDerWaalsContact C-N 3.29Å; P29-I31 PolarHBondContact O-N 3.22Å; I31-K33 PolarHBondContact O-N 3.05Å; I31-K33 VanDerWaalsContact O-N 3.15Å
32	K	58.1	Low	60.1	Low	153 Å²	153	108.8 Å²	108.8	67%	0.665	58%	0.581	S	S	*	*			trans	-62.1	123.8	177	-80.9	-179	-179.8	173	0	105.6	K30 L34	K30-K32 VanDerWaalsContact C-N 3.34Å; K30-K32 PolarHBondContact O-N 2.96Å; K32-L34 PolarHBondContact O-N 3.07Å
33	K	69.8	Low	63	Low	162 Å²	162	107.1 Å²	107.1	70%	0.704	57%	0.571	S	S	*	*			trans	-67.7	112	175.6	-165.9	177	171.2	-153.9	0	106.8	I31 E35	I31-K33 PolarHBondContact O-N 3.05Å; I31-K33 VanDerWaalsContact O-N 3.15Å; K33-E35 VanDerWaalsContact C-N 3.33Å; K33-E35 HydrophobicContact CB-CG 4.26Å; K33-E35 HydrophobicContact CD-CG 4.06Å; K33-E35 WeakPolarHBondContact CD-OE1 3.32Å; K33-E35 WeakPolarHBondContact CE-OE1 3.49Å; K33-E35 HydrophobicContact CG-CG 3.85Å; K33-E35 IonicContact NZ-OE1 3.02Å; K33-E35 PolarHBondContact NZ-OE1 3.01Å; K33-E35 PolarHBondContact O-N 2.96Å
34	L	78.9	Confident	66.2	Low	36 Å²	36	102 Å²	102	19%	0.188	55%	0.546	C	S	.	.			trans	-67.2	91.2	175.5	-64	173.1	0	0	0	108.8	K32 K67 I78 D80	K32-L34 PolarHBondContact O-N 3.07Å; L34-K67 HydrophobicContact CB-CB 4.36Å; L34-K67 HydrophobicContact CB-CD 4.48Å; L34-K67 HydrophobicContact CD1-CB 4.13Å; L34-I78 HydrophobicContact CB-CB 4.44Å; L34-I78 HydrophobicContact CB-CG2 4.25Å; L34-I78 HydrophobicContact CD2-CB 4.46Å; L34-I78 HydrophobicContact CD2-CG2 3.79Å; L34-D80 HydrophobicContact CD2-CB 4.37Å; L34-D80 VanDerWaalsContact CD2-CG 3.49Å; L34-D80 WeakPolarHBondContact CD2-OD1 3.33Å
35	E	81	Confident	69	Low	116 Å²	116	94.5 Å²	94.5	54%	0.542	52%	0.517	S	S	.	.			trans	-105.9	137.2	-179.9	-66.4	-164.9	158.5	0	0	111.7	K33 I78	K33-E35 VanDerWaalsContact C-N 3.33Å; K33-E35 HydrophobicContact CB-CG 4.26Å; K33-E35 HydrophobicContact CD-CG 4.06Å; K33-E35 WeakPolarHBondContact CD-OE1 3.32Å; K33-E35 WeakPolarHBondContact CE-OE1 3.49Å; K33-E35 HydrophobicContact CG-CG 3.85Å; K33-E35 IonicContact NZ-OE1 3.02Å; K33-E35 PolarHBondContact NZ-OE1 3.01Å; K33-E35 PolarHBondContact O-N 2.96Å; E35-I78 WeakPolarHBondContact O-CD1 3.48Å
36	P	83.8	Confident	72.2	Confident	33 Å²	33	91.3 Å²	91.3	21%	0.214	49%	0.491	C	S	.	.			trans	-73	143.8	177.6	29.6	-33.3	0	0	0	112.1	L38 V44 I69 I78	P36-L38 HydrophobicContact CB-CD2 3.93Å; P36-L38 HydrophobicContact CB-CG 4.3Å; P36-L38 HydrophobicContact CG-CD1 4.5Å; P36-L38 HydrophobicContact CG-CD2 4.06Å; P36-L38 HydrophobicContact CG-CG 4.17Å; P36-L38 PolarHBondContact O-N 3.02Å; P36-V44 HydrophobicContact CG-CG2 3.93Å; P36-I69 HydrophobicContact CB-CD1 3.73Å; P36-I69 HydrophobicContact CG-CD1 3.84Å; P36-I78 HydrophobicContact CB-CD1 4.1Å
37	V	87.3	Confident	75.4	Confident	122 Å²	122	89.3 Å²	89.3	74%	0.739	47%	0.469	S	S	*	.			trans	-85.1	106.9	165.4	-177.8	0	0	0	0	108.2
38	L	92.6	Very high	78.4	Confident	73 Å²	73	84.3 Å²	84.3	38%	0.382	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-98.5	136.6	-177.6	-59.2	178.4	0	0	0	111.2	P36 E42 V44	P36-L38 HydrophobicContact CB-CD2 3.93Å; P36-L38 HydrophobicContact CB-CG 4.3Å; P36-L38 HydrophobicContact CG-CD1 4.5Å; P36-L38 HydrophobicContact CG-CD2 4.06Å; P36-L38 HydrophobicContact CG-CG 4.17Å; P36-L38 PolarHBondContact O-N 3.02Å; L38-E42 WeakPolarHBondContact CA-OE2 3.07Å; L38-E42 HydrophobicContact CB-CB 4.19Å; L38-E42 HydrophobicContact CD2-CB 4.44Å; L38-E42 HydrophobicContact CD2-CG 3.94Å; L38-V44 HydrophobicContact CD1-CG2 4.14Å; L38-V44 HydrophobicContact CD2-CG2 4.11Å
39	L	92.7	Very high	81.5	Confident	28 Å²	28	79.6 Å²	79.6	15%	0.147	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-77.2	161.8	171.4	-65	178	0	0	0	111.5	G41 E42 F73 L94 F176 Y180	L39-G41 PolarHBondContact O-N 2.93Å; L39-G41 VanDerWaalsContact O-N 3.15Å; L39-E42 HydrophobicContact CB-CB 4.24Å; L39-E42 PolarHBondContact N-OE2 3.21Å; L39-E42 WeakPolarHBondContact O-CB 3.42Å; L39-E42 PolarHBondContact O-N 3.48Å; L39-F73 HydrophobicContact CD1-CD1 4.09Å; L39-F73 HydrophobicContact CD1-CE1 3.68Å; L39-F73 HydrophobicContact CD1-CZ 4.39Å; L39-L94 HydrophobicContact CD1-CB 4.28Å; L39-L94 HydrophobicContact CD1-CD2 3.9Å; L39-L94 HydrophobicContact CD2-CD2 4.03Å; L39-F176 HydrophobicContact CB-CE1 4.18Å; L39-F176 HydrophobicContact CB-CZ 3.79Å; L39-F176 HydrophobicContact CD1-CE1 3.87Å; L39-F176 HydrophobicContact CD1-CZ 4.31Å; L39-Y180 HydrophobicContact CB-CD2 4.41Å; L39-Y180 HydrophobicContact CB-CE2 4.4Å
40	P	92.6	Very high	84.2	Confident	68 Å²	68	80.3 Å²	80.3	44%	0.442	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	121.8	171	-28.1	34.5	0	0	0	112.1	E42 Y180	P40-E42 VanDerWaalsContact C-N 3.28Å; P40-E42 PolarHBondContact O-N 3.17Å; P40-Y180 HydrophobicContact CB-CD2 4.32Å; P40-Y180 HydrophobicContact CB-CE2 4.33Å; P40-Y180 HydrophobicContact CG-CE2 4.19Å; P40-Y180 WeakPolarHBondContact O-CA 3.3Å; P40-Y180 WeakPolarHBondContact O-CD2 3.48Å
41	G	91.9	Very high	87	Confident	13 Å²	13	71 Å²	71	13%	0.134	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-3.2	-177.4	0	0	0	0	0	115.2	L39 N72 E179	L39-G41 PolarHBondContact O-N 2.93Å; L39-G41 VanDerWaalsContact O-N 3.15Å; G41-N72 PolarHBondContact O-ND2 3.42Å; G41-E179 WeakPolarHBondContact O-CG 3.33Å
42	E	95.1	Very high	89	Confident	11 Å²	11	65 Å²	65	5%	0.051	33%	0.332	C	S	.	.			trans	-79.3	132.8	173.8	-166.2	179.2	179.5	0	0	110.2	L38 L39 P40 S71 N72 F73 K74 F176	L38-E42 WeakPolarHBondContact CA-OE2 3.07Å; L38-E42 HydrophobicContact CB-CB 4.19Å; L38-E42 HydrophobicContact CD2-CB 4.44Å; L38-E42 HydrophobicContact CD2-CG 3.94Å; L39-E42 HydrophobicContact CB-CB 4.24Å; L39-E42 PolarHBondContact N-OE2 3.21Å; L39-E42 WeakPolarHBondContact O-CB 3.42Å; L39-E42 PolarHBondContact O-N 3.48Å; P40-E42 VanDerWaalsContact C-N 3.28Å; P40-E42 PolarHBondContact O-N 3.17Å; E42-S71 VanDerWaalsContact OE1-CB 3.24Å; E42-S71 WeakPolarHBondContact OE1-CB 3.36Å; E42-S71 PolarHBondContact OE1-OG 3.36Å; E42-N72 WeakPolarHBondContact CA-OD1 3.14Å; E42-F73 HydrophobicContact CG-CB 4.08Å; E42-K74 WeakPolarHBondContact OE1-CE 3.31Å; E42-K74 WeakPolarHBondContact OE1-CG 3.22Å; E42-F176 HydrophobicContact CB-CE2 3.76Å; E42-F176 HydrophobicContact CB-CZ 3.93Å; E42-F176 HydrophobicContact CG-CE2 4.31Å
43	I	94.9	Very high	90.4	Very high	98 Å²	98	57.8 Å²	57.8	50%	0.503	30%	0.301	S	S	.	.			trans	-128.3	141	179.5	62.4	172.3	0	0	0	110.3	V45 S71 N72	I43-V45 PolarHBondContact O-N 3.17Å; I43-S71 CarbonylContact O-C 3.54Å; I43-S71 WeakPolarHBondContact O-CA 3.43Å; I43-S71 WeakPolarHBondContact O-CB 3.26Å; I43-N72 HydrophobicContact CG1-CB 4.16Å; I43-N72 PolarHBondContact N-OD1 2.91Å; I43-N72 PolarHBondContact O-N 3.25Å; I43-N72 PolarHBondContact O-OD1 3.5Å
44	V	96.4	Very high	91	Very high	57 Å²	57	50.6 Å²	50.6	35%	0.345	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	120	170.8	176	0	0	0	0	108.6	P36 L38 I69	P36-V44 HydrophobicContact CG-CG2 3.93Å; L38-V44 HydrophobicContact CD1-CG2 4.14Å; L38-V44 HydrophobicContact CD2-CG2 4.11Å; V44-I69 HydrophobicContact CB-CG2 4.47Å; V44-I69 HydrophobicContact CG1-CG2 3.86Å; V44-I69 HydrophobicContact CG2-CG2 3.98Å
45	V	95.7	Very high	90.7	Very high	42 Å²	42	51 Å²	51	26%	0.255	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-45	176.3	175.5	0	0	0	0	109.9	I43 C70 A162 Y166	I43-V45 PolarHBondContact O-N 3.17Å; V45-C70 WeakPolarHBondContact CA-O 3.23Å; V45-C70 WeakPolarHBondContact CB-O 3.38Å; V45-C70 PolarHBondContact N-O 3.31Å; V45-A162 HydrophobicContact CG1-CB 3.97Å; V45-Y166 HydrophobicContact CB-CE2 4.19Å; V45-Y166 HydrophobicContact CG1-CD2 3.81Å; V45-Y166 HydrophobicContact CG1-CE2 3.28Å; V45-Y166 HydrophobicContact CG2-CD1 4.14Å; V45-Y166 HydrophobicContact CG2-CD2 4.21Å; V45-Y166 HydrophobicContact CG2-CE1 3.72Å; V45-Y166 HydrophobicContact CG2-CE2 3.84Å; V45-Y166 HydrophobicContact CG2-CG 4.35Å
46	N	96.3	Very high	89.6	Confident	43 Å²	43	46.6 Å²	46.6	23%	0.23	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	155.2	-178.6	-142.4	-47.7	0	0	0	111.5	C70 K158 V159 A162	N46-C70 PolarHBondContact N-O 3.46Å; N46-C70 VanDerWaalsContact N-O 3.12Å; N46-C70 PolarHBondContact O-N 2.99Å; N46-K158 WeakPolarHBondContact ND2-CB 3.22Å; N46-V159 HydrophobicContact CB-CG2 3.86Å; N46-V159 WeakPolarHBondContact OD1-CG2 3.21Å; N46-A162 HydrophobicContact CB-CB 3.76Å
47	E	95.8	Very high	88.2	Confident	74 Å²	74	47.5 Å²	47.5	35%	0.346	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	155.7	177.5	61	171.9	-142.1	0	0	112.2	K67 L68 I69 V159	E47-K67 WeakPolarHBondContact OE1-CE 3.32Å; E47-K67 IonicContact OE1-NZ 3.79Å; E47-K67 PolarHBondContact OE1-NZ 3.37Å; E47-K67 WeakPolarHBondContact OE2-CE 3.27Å; E47-K67 IonicContact OE2-NZ 3.79Å; E47-K67 PolarHBondContact OE2-NZ 2.95Å; E47-L68 CarbonylContact C-O 3.59Å; E47-L68 VanDerWaalsContact CA-O 3.3Å; E47-L68 WeakPolarHBondContact CA-O 3.42Å; E47-I69 HydrophobicContact CB-CG1 4.06Å; E47-V159 VanDerWaalsContact C-CG2 3.44Å
48	V	95.9	Very high	86.3	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	135.6	175.5	58.1	0	0	0	0	109.6	V51 K67 L68 F148 S155 V159	V48-V51 HydrophobicContact CB-CG2 4.33Å; V48-V51 HydrophobicContact CG1-CG2 3.54Å; V48-V51 HydrophobicContact CG2-CG2 4.09Å; V48-K67 WeakPolarHBondContact O-CA 3.29Å; V48-L68 HydrophobicContact CG1-CB 3.84Å; V48-L68 HydrophobicContact CG1-CD2 4.4Å; V48-L68 PolarHBondContact N-O 3.29Å; V48-L68 PolarHBondContact O-N 3.39Å; V48-F148 HydrophobicContact CG1-CE1 4.1Å; V48-S155 WeakPolarHBondContact CG2-OG 3.42Å; V48-V159 HydrophobicContact CB-CG2 3.89Å; V48-V159 HydrophobicContact CG1-CB 4.04Å; V48-V159 HydrophobicContact CG1-CG1 4.08Å; V48-V159 HydrophobicContact CG1-CG2 3.77Å
49	N	94	Very high	84.4	Confident	71 Å²	71	45.7 Å²	45.7	38%	0.38	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	166.9	178.7	-65.2	-54.1	0	0	0	111.1	V51 K67 S151	N49-V51 VanDerWaalsContact C-N 3.28Å; N49-V51 PolarHBondContact O-N 3.28Å; N49-K67 WeakPolarHBondContact OD1-CE 3.28Å; N49-K67 WeakPolarHBondContact OD1-CG 3.34Å; N49-S151 PolarHBondContact O-OG 3.42Å; N49-S151 VanDerWaalsContact O-OG 3.12Å
50	F	92.1	Very high	82.8	Confident	131 Å²	131	48.6 Å²	48.6	58%	0.575	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.8	46	176.1	-48.9	-72.7	0	0	0	111.4	W65 G66 E150 S151	F50-W65 WeakPolarHBondContact O-CZ3 3.39Å; F50-G66 PolarHBondContact N-O 2.8Å; F50-E150 HydrophobicContact CB-CB 4.07Å; F50-S151 PolarHBondContact O-OG 2.76Å
51	V	93.1	Very high	81.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.8	174.9	-178.2	0	0	0	0	108.5	V48 N49 G66 L68 F77 F146 F148	V48-V51 HydrophobicContact CB-CG2 4.33Å; V48-V51 HydrophobicContact CG1-CG2 3.54Å; V48-V51 HydrophobicContact CG2-CG2 4.09Å; N49-V51 VanDerWaalsContact C-N 3.28Å; N49-V51 PolarHBondContact O-N 3.28Å; V51-G66 PolarHBondContact N-O 3.1Å; V51-G66 PolarHBondContact O-N 2.82Å; V51-L68 HydrophobicContact CB-CB 4.28Å; V51-L68 HydrophobicContact CG1-CB 4.27Å; V51-L68 HydrophobicContact CG2-CB 3.85Å; V51-F77 HydrophobicContact CB-CE2 4.27Å; V51-F77 HydrophobicContact CG1-CE2 4.39Å; V51-F146 HydrophobicContact CG1-CB 3.77Å; V51-F146 HydrophobicContact CG1-CD1 3.77Å; V51-F146 HydrophobicContact CG1-CG 4.12Å; V51-F148 HydrophobicContact CG1-CD1 4.3Å; V51-F148 HydrophobicContact CG1-CE1 4.09Å; V51-F148 HydrophobicContact CG2-CD1 4.03Å; V51-F148 HydrophobicContact CG2-CE1 4Å
52	R	90.3	Very high	80	Confident	32 Å²	32	58.2 Å²	58.2	12%	0.121	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.9	171.6	-167.1	169.9	79.1	-125.2	-15	109.8	D63 L64 W65 F146 R147 D149	R52-D63 VanDerWaalsContact CD-OD2 3.3Å; R52-D63 WeakPolarHBondContact CD-OD2 3.39Å; R52-D63 HydrophobicContact CG-CB 3.58Å; R52-D63 IonicContact CZ-OD2 2.82Å; R52-D63 IonicContact NE-OD2 3.26Å; R52-D63 PolarHBondContact NE-OD2 2.95Å; R52-L64 CarbonylContact C-O 3.54Å; R52-L64 WeakPolarHBondContact CA-O 3.39Å; R52-W65 HydrophobicContact CB-CD2 4.12Å; R52-W65 HydrophobicContact CB-CE3 3.99Å; R52-W65 HydrophobicContact CB-CH2 4Å; R52-W65 HydrophobicContact CB-CZ2 4.1Å; R52-W65 HydrophobicContact CB-CZ3 3.93Å; R52-W65 HydrophobicContact CG-CD2 4.27Å; R52-W65 HydrophobicContact CG-CZ2 4.2Å; R52-F146 CarbonylContact O-C 3.52Å; R52-F146 VanDerWaalsContact O-CA 3.31Å; R52-F146 WeakPolarHBondContact O-CA 3.3Å; R52-R147 HydrophobicContact CB-CB 4.37Å; R52-R147 PolarHBondContact N-O 3.19Å; R52-R147 PolarHBondContact O-N 3.08Å; R52-D149 IonicContact CZ-OD2 3.16Å; R52-D149 IonicContact NH1-OD2 3.06Å; R52-D149 PolarHBondContact NH1-OD2 3.46Å; R52-D149 IonicContact NH2-OD2 3.15Å; R52-D149 PolarHBondContact NH2-OD2 3.37Å
53	K	88.9	Confident	79.3	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.009	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	117.6	168.7	-178.1	-177.6	172.8	-171.5	0	108.3	I55 L64 F77 H98 F146	K53-I55 HydrophobicContact CD-CD1 4.08Å; K53-I55 HydrophobicContact CG-CD1 4.08Å; K53-I55 PolarHBondContact O-N 3.11Å; K53-L64 HydrophobicContact CB-CB 4.38Å; K53-L64 PolarHBondContact N-O 2.82Å; K53-L64 PolarHBondContact O-N 2.87Å; K53-F77 HydrophobicContact CB-CD1 4.03Å; K53-F77 HydrophobicContact CB-CD2 4.39Å; K53-F77 HydrophobicContact CB-CE1 3.61Å; K53-F77 HydrophobicContact CB-CE2 3.99Å; K53-F77 HydrophobicContact CB-CG 4.4Å; K53-F77 HydrophobicContact CB-CZ 3.58Å; K53-F77 HydrophobicContact CD-CD1 3.65Å; K53-F77 HydrophobicContact CD-CE1 3.93Å; K53-F77 HydrophobicContact CD-CG 4.2Å; K53-F77 HydrophobicContact CG-CD1 4.45Å; K53-F77 HydrophobicContact CG-CE1 4.41Å; K53-H98 VanDerWaalsContact NZ-CG 3.28Å; K53-H98 PolarHBondContact NZ-ND1 2.92Å; K53-F146 HydrophobicContact CB-CD1 3.88Å; K53-F146 HydrophobicContact CB-CE1 3.8Å; K53-F146 HydrophobicContact CD-CE1 4.06Å; K53-F146 HydrophobicContact CG-CD1 4.13Å; K53-F146 HydrophobicContact CG-CE1 3.75Å
54	C	82.1	Confident	78.8	Confident	11 Å²	11	54.4 Å²	54.4	7%	0.074	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-80.2	118.4	-176.7	-64	0	0	0	0	111.2	D63 R145 N740	C54-D63 VanDerWaalsContact CA-OD1 3.26Å; C54-D63 WeakPolarHBondContact CA-OD1 3.34Å; C54-D63 PolarHBondContact SG-OD2 2.93Å; C54-R145 HydrophobicContact CB-CB 4.03Å; C54-R145 PolarHBondContact N-O 3.4Å; C54-N740 PolarHBondContact O-ND2 2.71Å
55	I	72.9	Confident	78.5	Confident	43 Å²	43	55.6 Å²	55.6	22%	0.221	28%	0.282	C	S	.	.			trans	-102.1	-42.3	-177.9	-56.2	-60.3	0	0	0	111.3	K53 Y62 D63 L64	K53-I55 HydrophobicContact CD-CD1 4.08Å; K53-I55 HydrophobicContact CG-CD1 4.08Å; K53-I55 PolarHBondContact O-N 3.11Å; I55-Y62 WeakPolarHBondContact CB-O 3.47Å; I55-Y62 WeakPolarHBondContact CG1-O 3.22Å; I55-D63 PolarHBondContact N-OD1 3.09Å; I55-L64 HydrophobicContact CD1-CD1 4.09Å; I55-L64 HydrophobicContact CD1-CG 4.43Å; I55-L64 HydrophobicContact CG1-CD1 4.23Å; I55-L64 HydrophobicContact CG1-CG 4.05Å
56	A	58.3	Low	78.3	Confident	24 Å²	24	54 Å²	54	20%	0.198	28%	0.275	C	S	.	.			trans	-118.5	159.2	-178.2	0	0	0	0	0	112.6
57	T	52.6	Low	78.2	Confident	52 Å²	52	53 Å²	53	32%	0.319	27%	0.268	S	S	.	.	S	Bend	trans	-89.7	-26.1	-175.2	44.2	0	0	0	0	115.9	C742 R743 R744	T57-C742 HydrophobicContact CG2-CB 3.43Å; T57-C742 VanDerWaalsContact CG2-CB 3.43Å; T57-C742 WeakPolarHBondContact CG2-O 2.81Å; T57-R743 PolarHBondContact OG1-O 3.18Å; T57-R744 HydrophobicContact CG2-CG 4.26Å; T57-R744 WeakPolarHBondContact OG1-CA 3.48Å
58	D	47.9	Very low	78.2	Confident	106 Å²	106	49.5 Å²	49.5	57%	0.567	25%	0.252	S	S	*	.	S	Bend	trans	-111.1	-25	-165.2	56.3	4.4	0	0	0	113.2
59	T	53.2	Low	78.2	Confident	52 Å²	52	49.5 Å²	49.5	32%	0.319	25%	0.252	S	S	.	.			trans	-136.9	122.6	-177.5	45.2	0	0	0	0	110.8	Q61	T59-Q61 PolarHBondContact O-N 3.04Å
60	S	59.7	Low	78.4	Confident	88 Å²	88	46.1 Å²	46.1	62%	0.615	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-66.4	4.3	172.2	64.1	0	0	0	0	113.4	Y62	S60-Y62 VanDerWaalsContact C-N 3.32Å; S60-Y62 PolarHBondContact O-N 3.49Å
61	Q	59	Low	78.6	Confident	155 Å²	155	40 Å²	40	72%	0.724	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-72.4	-23.5	-174.5	-68.6	-174.1	-5	0	0	113.1	T59	T59-Q61 PolarHBondContact O-N 3.04Å
62	Y	66.9	Low	78.7	Confident	129 Å²	129	41.2 Å²	41.2	51%	0.506	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-108.6	4.4	-179.6	-59.1	-73.4	0	0	0	113.5	I55 S60	I55-Y62 WeakPolarHBondContact CB-O 3.47Å; I55-Y62 WeakPolarHBondContact CG1-O 3.22Å; S60-Y62 VanDerWaalsContact C-N 3.32Å; S60-Y62 PolarHBondContact O-N 3.49Å
63	D	79.1	Confident	79	Confident	18 Å²	18	39.7 Å²	39.7	10%	0.096	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-70.6	143.3	175.9	-81.5	4.8	0	0	0	110.3	R52 C54 I55	R52-D63 VanDerWaalsContact CD-OD2 3.3Å; R52-D63 WeakPolarHBondContact CD-OD2 3.39Å; R52-D63 HydrophobicContact CG-CB 3.58Å; R52-D63 IonicContact CZ-OD2 2.82Å; R52-D63 IonicContact NE-OD2 3.26Å; R52-D63 PolarHBondContact NE-OD2 2.95Å; C54-D63 VanDerWaalsContact CA-OD1 3.26Å; C54-D63 WeakPolarHBondContact CA-OD1 3.34Å; C54-D63 PolarHBondContact SG-OD2 2.93Å; I55-D63 PolarHBondContact N-OD1 3.09Å
64	L	85.2	Confident	79.3	Confident	10 Å²	10	40 Å²	40	5%	0.052	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	133.1	-177.7	-58.8	172.8	0	0	0	110	R52 K53 I55 F77 T79 D81 M83	R52-L64 CarbonylContact C-O 3.54Å; R52-L64 WeakPolarHBondContact CA-O 3.39Å; K53-L64 HydrophobicContact CB-CB 4.38Å; K53-L64 PolarHBondContact N-O 2.82Å; K53-L64 PolarHBondContact O-N 2.87Å; I55-L64 HydrophobicContact CD1-CD1 4.09Å; I55-L64 HydrophobicContact CD1-CG 4.43Å; I55-L64 HydrophobicContact CG1-CD1 4.23Å; I55-L64 HydrophobicContact CG1-CG 4.05Å; L64-F77 HydrophobicContact CB-CE1 3.79Å; L64-F77 HydrophobicContact CB-CZ 4.15Å; L64-F77 HydrophobicContact CD1-CE1 4.5Å; L64-F77 WeakPolarHBondContact O-CZ 3.45Å; L64-T79 HydrophobicContact CD1-CG2 4.33Å; L64-D81 HydrophobicContact CD2-CB 4.23Å; L64-M83 HydrophobicContact CD2-CG 4.2Å
65	W	89	Confident	80	Confident	82 Å²	82	39.5 Å²	39.5	31%	0.311	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	140.6	171.6	-73.4	95.8	0	0	0	110.7	F50 R52 T79 E150	F50-W65 WeakPolarHBondContact O-CZ3 3.39Å; R52-W65 HydrophobicContact CB-CD2 4.12Å; R52-W65 HydrophobicContact CB-CE3 3.99Å; R52-W65 HydrophobicContact CB-CH2 4Å; R52-W65 HydrophobicContact CB-CZ2 4.1Å; R52-W65 HydrophobicContact CB-CZ3 3.93Å; R52-W65 HydrophobicContact CG-CD2 4.27Å; R52-W65 HydrophobicContact CG-CZ2 4.2Å; W65-T79 VanDerWaalsContact O-CB 3.24Å; W65-T79 WeakPolarHBondContact O-CB 3.24Å; W65-T79 PolarHBondContact O-OG1 3.37Å; W65-E150 HydrophobicContact CH2-CB 4.28Å; W65-E150 HydrophobicContact CH2-CG 3.88Å; W65-E150 HydrophobicContact CZ3-CB 4.13Å; W65-E150 HydrophobicContact CZ3-CG 4.23Å
66	G	92.2	Very high	81	Confident	9 Å²	9	37.8 Å²	37.8	9%	0.093	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	-161	-176.6	0	0	0	0	0	115	F50 V51 I78	F50-G66 PolarHBondContact N-O 2.8Å; V51-G66 PolarHBondContact N-O 3.1Å; V51-G66 PolarHBondContact O-N 2.82Å; G66-I78 CarbonylContact C-O 3.52Å; G66-I78 WeakPolarHBondContact CA-O 3.11Å
67	K	93.7	Very high	82.6	Confident	22 Å²	22	37 Å²	37	10%	0.096	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129.1	-179.7	-170.4	-174.9	-125.4	-158.1	0	109.6	L34 E47 V48 N49 I69 F77 I78	L34-K67 HydrophobicContact CB-CB 4.36Å; L34-K67 HydrophobicContact CB-CD 4.48Å; L34-K67 HydrophobicContact CD1-CB 4.13Å; E47-K67 WeakPolarHBondContact OE1-CE 3.32Å; E47-K67 IonicContact OE1-NZ 3.79Å; E47-K67 PolarHBondContact OE1-NZ 3.37Å; E47-K67 WeakPolarHBondContact OE2-CE 3.27Å; E47-K67 IonicContact OE2-NZ 3.79Å; E47-K67 PolarHBondContact OE2-NZ 2.95Å; V48-K67 WeakPolarHBondContact O-CA 3.29Å; N49-K67 WeakPolarHBondContact OD1-CE 3.28Å; N49-K67 WeakPolarHBondContact OD1-CG 3.34Å; K67-I69 HydrophobicContact CD-CD1 3.93Å; K67-I69 HydrophobicContact CD-CG1 4.01Å; K67-I69 HydrophobicContact CG-CD1 4.37Å; K67-I69 HydrophobicContact CG-CG1 4.01Å; K67-F77 WeakPolarHBondContact O-CA 3.43Å; K67-I78 PolarHBondContact N-O 3.11Å; K67-I78 PolarHBondContact O-N 2.75Å
68	L	96	Very high	84.4	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.6	173.1	-176.8	66.1	0	0	0	109.7	E47 V48 V51 I75 F77 L134 F146 F148 V159 I163	E47-L68 CarbonylContact C-O 3.59Å; E47-L68 VanDerWaalsContact CA-O 3.3Å; E47-L68 WeakPolarHBondContact CA-O 3.42Å; V48-L68 HydrophobicContact CG1-CB 3.84Å; V48-L68 HydrophobicContact CG1-CD2 4.4Å; V48-L68 PolarHBondContact N-O 3.29Å; V48-L68 PolarHBondContact O-N 3.39Å; V51-L68 HydrophobicContact CB-CB 4.28Å; V51-L68 HydrophobicContact CG1-CB 4.27Å; V51-L68 HydrophobicContact CG2-CB 3.85Å; L68-I75 HydrophobicContact CD1-CG2 3.37Å; L68-I75 HydrophobicContact CG-CG2 4.35Å; L68-F77 HydrophobicContact CD1-CB 4.4Å; L68-L134 HydrophobicContact CD2-CD2 4.12Å; L68-F146 HydrophobicContact CD1-CD1 4.36Å; L68-F146 HydrophobicContact CD1-CD2 4.22Å; L68-F146 HydrophobicContact CD1-CE1 3.92Å; L68-F146 HydrophobicContact CD1-CE2 3.75Å; L68-F146 HydrophobicContact CD1-CG 4.5Å; L68-F146 HydrophobicContact CD1-CZ 3.58Å; L68-F146 HydrophobicContact CD2-CD2 4.04Å; L68-F146 HydrophobicContact CD2-CE2 4.37Å; L68-F146 HydrophobicContact CD2-CG 4.12Å; L68-F148 HydrophobicContact CD2-CE1 4.25Å; L68-F148 HydrophobicContact CD2-CZ 4.36Å; L68-V159 HydrophobicContact CD2-CG1 3.96Å; L68-V159 HydrophobicContact CG-CG1 4.28Å; L68-I163 HydrophobicContact CD2-CD1 4.41Å
69	I	96.3	Very high	86.3	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.5	-175	-57.2	172.3	0	0	0	108.7	P36 V44 E47 K67 I75 S76 I78	P36-I69 HydrophobicContact CB-CD1 3.73Å; P36-I69 HydrophobicContact CG-CD1 3.84Å; V44-I69 HydrophobicContact CB-CG2 4.47Å; V44-I69 HydrophobicContact CG1-CG2 3.86Å; V44-I69 HydrophobicContact CG2-CG2 3.98Å; E47-I69 HydrophobicContact CB-CG1 4.06Å; K67-I69 HydrophobicContact CD-CD1 3.93Å; K67-I69 HydrophobicContact CD-CG1 4.01Å; K67-I69 HydrophobicContact CG-CD1 4.37Å; K67-I69 HydrophobicContact CG-CG1 4.01Å; I69-I75 CarbonylContact O-C 3.55Å; I69-I75 VanDerWaalsContact O-CA 3.3Å; I69-I75 WeakPolarHBondContact O-CA 3.45Å; I69-S76 PolarHBondContact N-O 2.96Å; I69-S76 PolarHBondContact O-N 3.48Å; I69-I78 HydrophobicContact CD1-CD1 3.61Å; I69-I78 HydrophobicContact CD1-CG1 4.29Å
70	C	97.3	Very high	87.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120	166.8	-174.6	0	0	0	0	108.4	V45 N46 A162 I163	V45-C70 WeakPolarHBondContact CA-O 3.23Å; V45-C70 WeakPolarHBondContact CB-O 3.38Å; V45-C70 PolarHBondContact N-O 3.31Å; N46-C70 PolarHBondContact N-O 3.46Å; N46-C70 VanDerWaalsContact N-O 3.12Å; N46-C70 PolarHBondContact O-N 2.99Å; C70-A162 HydrophobicContact CB-CB 4.43Å; C70-I163 HydrophobicContact CB-CG1 3.79Å
71	S	96.8	Very high	87.9	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.014	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-174	167.9	75.7	0	0	0	0	110.9	E42 I43 F73 K74 L102	E42-S71 VanDerWaalsContact OE1-CB 3.24Å; E42-S71 WeakPolarHBondContact OE1-CB 3.36Å; E42-S71 PolarHBondContact OE1-OG 3.36Å; I43-S71 CarbonylContact O-C 3.54Å; I43-S71 WeakPolarHBondContact O-CA 3.43Å; I43-S71 WeakPolarHBondContact O-CB 3.26Å; S71-F73 PolarHBondContact OG-N 2.73Å; S71-K74 PolarHBondContact N-O 3.33Å; S71-K74 PolarHBondContact OG-N 2.96Å; S71-K74 PolarHBondContact OG-O 3.3Å; S71-K74 VanDerWaalsContact OG-O 3.12Å; S71-L102 WeakPolarHBondContact O-CD1 3.48Å
72	N	95.2	Very high	87.9	Confident	26 Å²	26	31.9 Å²	31.9	14%	0.139	16%	0.164	C	C	.	.	S	Bend	trans	-79.4	0.7	167.2	63.5	-31.4	0	0	0	113.6	G41 E42 I43 Y166	G41-N72 PolarHBondContact O-ND2 3.42Å; E42-N72 WeakPolarHBondContact CA-OD1 3.14Å; I43-N72 HydrophobicContact CG1-CB 4.16Å; I43-N72 PolarHBondContact N-OD1 2.91Å; I43-N72 PolarHBondContact O-N 3.25Å; I43-N72 PolarHBondContact O-OD1 3.5Å; N72-Y166 HydrophobicContact CB-CD1 4.21Å; N72-Y166 HydrophobicContact CB-CE1 4.16Å
73	F	95.9	Very high	87.6	Confident	1 Å²	1	28 Å²	28	0%	0.004	15%	0.151	C	C	.	.	S	Bend	trans	-120.6	-43.2	-178.5	173.7	-134.1	0	0	0	113.1	L39 E42 S71 L95 L102 F176 I493	L39-F73 HydrophobicContact CD1-CD1 4.09Å; L39-F73 HydrophobicContact CD1-CE1 3.68Å; L39-F73 HydrophobicContact CD1-CZ 4.39Å; E42-F73 HydrophobicContact CG-CB 4.08Å; S71-F73 PolarHBondContact OG-N 2.73Å; F73-L95 HydrophobicContact CE1-CD2 3.76Å; F73-L95 HydrophobicContact CZ-CD2 3.93Å; F73-L102 WeakPolarHBondContact O-CB 3.32Å; F73-L102 WeakPolarHBondContact O-CG 3.11Å; F73-L102 PolarHBondContact O-N 2.49Å; F73-F176 HydrophobicContact CB-CB 4.03Å; F73-F176 HydrophobicContact CB-CD1 3.87Å; F73-F176 HydrophobicContact CB-CD2 3.69Å; F73-F176 HydrophobicContact CB-CE1 4.25Å; F73-F176 HydrophobicContact CB-CE2 4.1Å; F73-F176 HydrophobicContact CB-CG 3.56Å; F73-F176 HydrophobicContact CB-CZ 4.37Å; F73-F176 HydrophobicContact CD1-CD1 4.08Å; F73-F176 HydrophobicContact CD1-CE1 4.04Å; F73-F176 HydrophobicContact CD2-CB 3.58Å; F73-F176 AromaticContact CD2-CD1 3.19Å; F73-F176 HydrophobicContact CD2-CD1 3.19Å; F73-F176 HydrophobicContact CD2-CD2 4.45Å; F73-F176 AromaticContact CD2-CE1 3.99Å; F73-F176 HydrophobicContact CD2-CE1 3.99Å; F73-F176 AromaticContact CD2-CG 3.48Å; F73-F176 HydrophobicContact CD2-CG 3.48Å; F73-F176 VanDerWaalsContact CD2-CG 3.48Å; F73-F176 HydrophobicContact CE1-CD1 4.46Å; F73-F176 HydrophobicContact CE1-CE1 4.39Å; F73-F176 HydrophobicContact CE2-CB 4.46Å; F73-F176 AromaticContact CE2-CD1 3.66Å; F73-F176 HydrophobicContact CE2-CD1 3.66Å; F73-F176 HydrophobicContact CE2-CE1 4.34Å; F73-F176 HydrophobicContact CE2-CG 4.34Å; F73-F176 HydrophobicContact CG-CB 4.15Å; F73-F176 AromaticContact CG-CD1 3.44Å; F73-F176 HydrophobicContact CG-CD1 3.44Å; F73-F176 VanDerWaalsContact CG-CD1 3.44Å; F73-F176 HydrophobicContact CG-CD2 4.22Å; F73-F176 AromaticContact CG-CE1 3.83Å; F73-F176 HydrophobicContact CG-CE1 3.83Å; F73-F176 AromaticContact CG-CG 3.65Å; F73-F176 HydrophobicContact CG-CG 3.65Å; F73-F176 HydrophobicContact CG-CZ 4.39Å; F73-F176 HydrophobicContact CZ-CD1 4.27Å; F73-I493 HydrophobicContact CE2-CG2 4.09Å; F73-I493 HydrophobicContact CZ-CG2 3.95Å
74	K	95.8	Very high	86.1	Confident	7 Å²	7	32.9 Å²	32.9	3%	0.03	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	166.1	-168.8	58.6	-176.3	176.9	174.6	0	112.1	E42 S71 L94 L95 D99 V100	E42-K74 WeakPolarHBondContact OE1-CE 3.31Å; E42-K74 WeakPolarHBondContact OE1-CG 3.22Å; S71-K74 PolarHBondContact N-O 3.33Å; S71-K74 PolarHBondContact OG-N 2.96Å; S71-K74 PolarHBondContact OG-O 3.3Å; S71-K74 VanDerWaalsContact OG-O 3.12Å; K74-L94 PolarHBondContact NZ-O 3.12Å; K74-L94 VanDerWaalsContact NZ-O 3.13Å; K74-L95 HydrophobicContact CB-CD2 4.46Å; K74-L95 HydrophobicContact CD-CD2 3.85Å; K74-D99 HydrophobicContact CD-CB 4.12Å; K74-D99 VanDerWaalsContact CD-OD2 3.31Å; K74-D99 WeakPolarHBondContact CD-OD2 3.43Å; K74-D99 WeakPolarHBondContact CE-OD2 3.47Å; K74-D99 IonicContact NZ-OD2 3.87Å; K74-D99 PolarHBondContact NZ-OD2 3.03Å; K74-V100 CarbonylContact C-O 3.51Å; K74-V100 VanDerWaalsContact CA-O 3.32Å; K74-V100 WeakPolarHBondContact CA-O 3.45Å; K74-V100 WeakPolarHBondContact CB-O 3.38Å
75	I	96.1	Very high	84.4	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	133	159.5	-57.6	175.3	0	0	0	107.2	L68 I69 D99 V100 L102 I105 I136 I163	L68-I75 HydrophobicContact CD1-CG2 3.37Å; L68-I75 HydrophobicContact CG-CG2 4.35Å; I69-I75 CarbonylContact O-C 3.55Å; I69-I75 VanDerWaalsContact O-CA 3.3Å; I69-I75 WeakPolarHBondContact O-CA 3.45Å; I75-D99 CarbonylContact O-C 3.49Å; I75-D99 VanDerWaalsContact O-CA 3.26Å; I75-D99 WeakPolarHBondContact O-CA 3.36Å; I75-V100 PolarHBondContact N-O 3.37Å; I75-V100 PolarHBondContact O-N 3.46Å; I75-L102 HydrophobicContact CG1-CD2 4.04Å; I75-I105 HydrophobicContact CD1-CD1 3.4Å; I75-I105 VanDerWaalsContact CD1-CD1 3.4Å; I75-I105 HydrophobicContact CD1-CG1 4.46Å; I75-I105 HydrophobicContact CG1-CD1 4.07Å; I75-I136 HydrophobicContact CD1-CD1 3.47Å; I75-I136 VanDerWaalsContact CD1-CD1 3.47Å; I75-I163 HydrophobicContact CD1-CB 4.35Å; I75-I163 HydrophobicContact CD1-CD1 3.82Å; I75-I163 HydrophobicContact CD1-CG1 3.87Å; I75-I163 HydrophobicContact CD1-CG2 3.55Å; I75-I163 HydrophobicContact CG1-CD1 4.27Å; I75-I163 HydrophobicContact CG1-CG1 4.05Å; I75-I163 HydrophobicContact CG1-CG2 4.37Å
76	S	94.4	Very high	82.7	Confident	7 Å²	7	35.9 Å²	35.9	5%	0.049	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133	174.2	-71.9	0	0	0	0	110.9	I69 D99	I69-S76 PolarHBondContact N-O 2.96Å; I69-S76 PolarHBondContact O-N 3.48Å; S76-D99 VanDerWaalsContact CA-OD1 3.23Å; S76-D99 WeakPolarHBondContact CA-OD1 3.48Å; S76-D99 WeakPolarHBondContact CB-OD1 3.47Å; S76-D99 PolarHBondContact OG-OD1 3.48Å; S76-D99 PolarHBondContact OG-OD2 2.96Å
77	F	92.9	Very high	80.9	Confident	6 Å²	6	43.2 Å²	43.2	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118	169.7	178.9	-100.2	0	0	0	108.8	V51 K53 L64 K67 L68 T79 H98 F146	V51-F77 HydrophobicContact CB-CE2 4.27Å; V51-F77 HydrophobicContact CG1-CE2 4.39Å; K53-F77 HydrophobicContact CB-CD1 4.03Å; K53-F77 HydrophobicContact CB-CD2 4.39Å; K53-F77 HydrophobicContact CB-CE1 3.61Å; K53-F77 HydrophobicContact CB-CE2 3.99Å; K53-F77 HydrophobicContact CB-CG 4.4Å; K53-F77 HydrophobicContact CB-CZ 3.58Å; K53-F77 HydrophobicContact CD-CD1 3.65Å; K53-F77 HydrophobicContact CD-CE1 3.93Å; K53-F77 HydrophobicContact CD-CG 4.2Å; K53-F77 HydrophobicContact CG-CD1 4.45Å; K53-F77 HydrophobicContact CG-CE1 4.41Å; L64-F77 HydrophobicContact CB-CE1 3.79Å; L64-F77 HydrophobicContact CB-CZ 4.15Å; L64-F77 HydrophobicContact CD1-CE1 4.5Å; L64-F77 WeakPolarHBondContact O-CZ 3.45Å; K67-F77 WeakPolarHBondContact O-CA 3.43Å; L68-F77 HydrophobicContact CD1-CB 4.4Å; F77-T79 HydrophobicContact CE1-CG2 4.24Å; F77-H98 HydrophobicContact CB-CB 4Å; F77-H98 HydrophobicContact CD1-CB 4.32Å; F77-H98 AromaticContact CD1-CD2 3.79Å; F77-F146 HydrophobicContact CB-CE1 3.89Å; F77-F146 HydrophobicContact CB-CZ 4.09Å; F77-F146 HydrophobicContact CD2-CD1 4.14Å; F77-F146 AromaticContact CD2-CE1 3.57Å; F77-F146 HydrophobicContact CD2-CE1 3.57Å; F77-F146 HydrophobicContact CE2-CD1 4.46Å; F77-F146 HydrophobicContact CE2-CE1 4.25Å; F77-F146 AromaticContact CG-CE1 3.75Å; F77-F146 HydrophobicContact CG-CE1 3.75Å; F77-F146 HydrophobicContact CG-CZ 4.44Å
78	I	90.5	Very high	79.2	Confident	38 Å²	38	44.8 Å²	44.8	20%	0.195	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.3	-176	-43.5	180	0	0	0	107.8	L34 E35 P36 G66 K67 I69	L34-I78 HydrophobicContact CB-CB 4.44Å; L34-I78 HydrophobicContact CB-CG2 4.25Å; L34-I78 HydrophobicContact CD2-CB 4.46Å; L34-I78 HydrophobicContact CD2-CG2 3.79Å; E35-I78 WeakPolarHBondContact O-CD1 3.48Å; P36-I78 HydrophobicContact CB-CD1 4.1Å; G66-I78 CarbonylContact C-O 3.52Å; G66-I78 WeakPolarHBondContact CA-O 3.11Å; K67-I78 PolarHBondContact N-O 3.11Å; K67-I78 PolarHBondContact O-N 2.75Å; I69-I78 HydrophobicContact CD1-CD1 3.61Å; I69-I78 HydrophobicContact CD1-CG1 4.29Å
79	T	87.2	Confident	77.7	Confident	29 Å²	29	48.3 Å²	48.3	18%	0.178	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147.7	179.2	-178.5	0	0	0	0	109.6	L64 W65 F77 D81	L64-T79 HydrophobicContact CD1-CG2 4.33Å; W65-T79 VanDerWaalsContact O-CB 3.24Å; W65-T79 WeakPolarHBondContact O-CB 3.24Å; W65-T79 PolarHBondContact O-OG1 3.37Å; F77-T79 HydrophobicContact CE1-CG2 4.24Å; T79-D81 PolarHBondContact OG1-N 2.99Å; T79-D81 VanDerWaalsContact OG1-N 3.14Å
80	D	78	Confident	76.5	Confident	83 Å²	83	49.1 Å²	49.1	44%	0.444	26%	0.259	S	S	.	.	S	Bend	trans	-90.7	-10.8	170.4	-83.5	-35.1	0	0	0	112	L34 P82	L34-D80 HydrophobicContact CD2-CB 4.37Å; L34-D80 VanDerWaalsContact CD2-CG 3.49Å; L34-D80 WeakPolarHBondContact CD2-OD1 3.33Å; D80-P82 WeakPolarHBondContact O-CD 3.14Å
81	D	68.4	Low	75.4	Confident	82 Å²	82	57 Å²	57	44%	0.439	29%	0.289	S	S	.	.			trans	-77	107.6	-178.1	-67.4	-39	0	0	0	109.8	L64 T79 M83	L64-D81 HydrophobicContact CD2-CB 4.23Å; T79-D81 PolarHBondContact OG1-N 2.99Å; T79-D81 VanDerWaalsContact OG1-N 3.14Å; D81-M83 PolarHBondContact O-N 2.7Å
82	P	58.8	Low	75	Confident	115 Å²	115	58 Å²	58	75%	0.747	29%	0.294	S	S	*	.			trans	-73.9	120.6	176	30.4	-30	0	0	0	108.7	D80 P84	D80-P82 WeakPolarHBondContact O-CD 3.14Å; P82-P84 WeakPolarHBondContact O-CD 3.43Å
83	M	60.2	Low	74.7	Confident	47 Å²	47	61.2 Å²	61.2	23%	0.232	31%	0.311	C	S	.	.			trans	-67.6	120.5	165.8	-97.8	-166.3	81.2	0	0	109.3	L64 D81 L85 Q86	L64-M83 HydrophobicContact CD2-CG 4.2Å; D81-M83 PolarHBondContact O-N 2.7Å; M83-L85 PolarHBondContact O-N 3.15Å; M83-Q86 HydrophobicContact CB-CB 4.44Å; M83-Q86 HydrophobicContact CE-CB 4.18Å; M83-Q86 HydrophobicContact CE-CG 3.85Å; M83-Q86 HydrophobicContact SD-CB 4.3Å; M83-Q86 HydrophobicContact SD-CG 4.38Å
84	P	48.4	Very low	74.5	Confident	120 Å²	120	61.5 Å²	61.5	78%	0.779	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-23	178.6	-18.3	31.8	0	0	0	113	P82	P82-P84 WeakPolarHBondContact O-CD 3.43Å
85	L	49.6	Very low	74.2	Confident	122 Å²	122	62.2 Å²	62.2	64%	0.639	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-5.2	-165.6	-67	165.2	0	0	0	115.1	M83	M83-L85 PolarHBondContact O-N 3.15Å
86	Q	52.3	Low	73.7	Confident	33 Å²	33	63.4 Å²	63.4	15%	0.154	33%	0.329	C	S	.	.			trans	-130.1	83.4	180	-78.2	-168.8	-18.4	0	0	110.7	M83 S736 P737	M83-Q86 HydrophobicContact CB-CB 4.44Å; M83-Q86 HydrophobicContact CE-CB 4.18Å; M83-Q86 HydrophobicContact CE-CG 3.85Å; M83-Q86 HydrophobicContact SD-CB 4.3Å; M83-Q86 HydrophobicContact SD-CG 4.38Å; Q86-S736 WeakPolarHBondContact CG-OG 3.4Å; Q86-P737 PolarHBondContact NE2-O 3.27Å
87	K	55.3	Low	73	Confident	164 Å²	164	67.2 Å²	67.2	71%	0.713	35%	0.346	S	S	*	.			trans	-94.5	117.4	165.8	-76.2	-178.2	-179.2	173.6	0	109.2	H89	K87-H89 PolarHBondContact O-N 3.17Å; K87-H89 PolarHBondContact O-ND1 2.87Å
88	F	58.1	Low	72.7	Confident	55 Å²	55	68 Å²	68	24%	0.241	35%	0.35	C	S	.	.			trans	-65.3	122	170.6	-77.4	-97.5	0	0	0	110.2	Y90 E97 V738	F88-Y90 VanDerWaalsContact C-N 3.33Å; F88-E97 HydrophobicContact CD2-CG 3.44Å; F88-E97 VanDerWaalsContact CD2-CG 3.44Å; F88-E97 WeakPolarHBondContact CD2-OE1 3.22Å; F88-E97 HydrophobicContact CE2-CG 3.06Å; F88-E97 WeakPolarHBondContact CE2-OE1 3.28Å; F88-E97 HydrophobicContact CG-CG 4.32Å; F88-E97 HydrophobicContact CZ-CG 3.61Å; F88-V738 HydrophobicContact CE1-CG2 4.16Å; F88-V738 HydrophobicContact CE2-CB 4.31Å; F88-V738 HydrophobicContact CE2-CG2 3.4Å; F88-V738 VanDerWaalsContact CE2-CG2 3.4Å; F88-V738 HydrophobicContact CZ-CB 3.58Å; F88-V738 HydrophobicContact CZ-CG1 4.1Å; F88-V738 HydrophobicContact CZ-CG2 3.07Å
89	H	63.8	Low	72.7	Confident	73 Å²	73	66.7 Å²	66.7	34%	0.338	34%	0.343	S	S	.	.	S	Bend	trans	-84.9	-16.6	173.1	-67.4	90.8	0	0	0	112	K87 D544 Y713 F733	K87-H89 PolarHBondContact O-N 3.17Å; K87-H89 PolarHBondContact O-ND1 2.87Å; H89-D544 VanDerWaalsContact O-OD1 3.12Å; H89-Y713 PolarHBondContact O-OH 2.9Å; H89-F733 HydrophobicContact CB-CD2 4.09Å; H89-F733 HydrophobicContact CB-CE2 3.77Å
90	Y	71.9	Confident	73	Confident	19 Å²	19	65.5 Å²	65.5	8%	0.075	34%	0.336	C	S	.	.	S	Bend	trans	-122.2	124.8	177.2	158.3	-88.7	0	0	0	109	F88 V486 F540 D544 L547 F735	F88-Y90 VanDerWaalsContact C-N 3.33Å; Y90-V486 HydrophobicContact CE2-CG2 3.91Å; Y90-V486 WeakPolarHBondContact OH-CG2 3.46Å; Y90-F540 HydrophobicContact CD2-CD1 4.16Å; Y90-F540 HydrophobicContact CD2-CE1 4.25Å; Y90-F540 HydrophobicContact CE1-CE1 4.09Å; Y90-F540 AromaticContact CE2-CD1 3.44Å; Y90-F540 HydrophobicContact CE2-CD1 3.44Å; Y90-F540 VanDerWaalsContact CE2-CD1 3.44Å; Y90-F540 AromaticContact CE2-CE1 3.21Å; Y90-F540 HydrophobicContact CE2-CE1 3.21Å; Y90-F540 HydrophobicContact CE2-CE2 4.47Å; Y90-F540 HydrophobicContact CE2-CG 4.22Å; Y90-F540 AromaticContact CE2-CZ 3.79Å; Y90-F540 HydrophobicContact CE2-CZ 3.79Å; Y90-F540 AromaticContact CZ-CD1 3.87Å; Y90-F540 AromaticContact CZ-CE1 3.13Å; Y90-F540 AromaticContact CZ-CZ 3.59Å; Y90-F540 WeakPolarHBondContact OH-CE1 3.35Å; Y90-F540 WeakPolarHBondContact OH-CZ 3.39Å; Y90-D544 HydrophobicContact CD2-CB 4.34Å; Y90-L547 HydrophobicContact CD2-CD1 4.23Å; Y90-F735 AromaticContact CD1-CD1 3.88Å; Y90-F735 HydrophobicContact CD1-CD1 3.88Å; Y90-F735 AromaticContact CD1-CE1 3.73Å; Y90-F735 HydrophobicContact CD1-CE1 3.73Å; Y90-F735 AromaticContact CE1-CD1 3.93Å; Y90-F735 HydrophobicContact CE1-CD1 3.93Å; Y90-F735 AromaticContact CE1-CE1 3.41Å; Y90-F735 HydrophobicContact CE1-CE1 3.41Å; Y90-F735 VanDerWaalsContact CE1-CE1 3.41Å; Y90-F735 HydrophobicContact CE1-CZ 4.4Å; Y90-F735 HydrophobicContact CG-CE1 4.48Å; Y90-F735 AromaticContact CZ-CE1 3.9Å
91	R	74.8	Confident	73.8	Confident	166 Å²	166	61.8 Å²	61.8	63%	0.626	32%	0.316	S	S	*	.			trans	-130.4	125.7	-178.2	-175	174.3	175	175.2	0.6	111.6
92	N	86.5	Confident	75.1	Confident	23 Å²	23	58.2 Å²	58.2	12%	0.123	30%	0.297	C	S	.	.			trans	-73.5	137.2	170.5	-167.2	-66	0	0	0	109.9	L94 L95 Q539 F540	N92-L94 WeakPolarHBondContact OD1-CA 3.26Å; N92-L94 VanDerWaalsContact OD1-CB 3.28Å; N92-L94 WeakPolarHBondContact OD1-CB 3.42Å; N92-L94 PolarHBondContact OD1-N 2.75Å; N92-L95 HydrophobicContact CB-CB 4.31Å; N92-L95 PolarHBondContact OD1-N 3.49Å; N92-L95 VanDerWaalsContact OD1-N 3.13Å; N92-Q539 CarbonylContact C-O 3.52Å; N92-Q539 WeakPolarHBondContact CA-O 3.3Å; N92-F540 HydrophobicContact CB-CE1 3.87Å; N92-F540 WeakPolarHBondContact ND2-CZ 3.32Å
93	L	90.1	Very high	76.8	Confident	93 Å²	93	52.9 Å²	52.9	49%	0.487	26%	0.263	S	S	.	.	S	Bend	trans	-82.4	-20.5	-179.3	-62.8	177.9	0	0	0	113	Q539 T541	L93-Q539 PolarHBondContact N-O 2.9Å; L93-T541 HydrophobicContact CD2-CG2 4.1Å
94	L	90.6	Very high	78.4	Confident	7 Å²	7	50.7 Å²	50.7	4%	0.037	25%	0.252	C	S	.	.	S	Bend	trans	-90.6	-31.2	178.5	-55.9	173.6	0	0	0	112.4	L39 K74 N92 L495 F496 L538 Q539	L39-L94 HydrophobicContact CD1-CB 4.28Å; L39-L94 HydrophobicContact CD1-CD2 3.9Å; L39-L94 HydrophobicContact CD2-CD2 4.03Å; K74-L94 PolarHBondContact NZ-O 3.12Å; K74-L94 VanDerWaalsContact NZ-O 3.13Å; N92-L94 WeakPolarHBondContact OD1-CA 3.26Å; N92-L94 VanDerWaalsContact OD1-CB 3.28Å; N92-L94 WeakPolarHBondContact OD1-CB 3.42Å; N92-L94 PolarHBondContact OD1-N 2.75Å; L94-L495 HydrophobicContact CD1-CD2 3.52Å; L94-L495 HydrophobicContact CD2-CD2 3.98Å; L94-L495 HydrophobicContact CG-CD2 4.39Å; L94-F496 HydrophobicContact CD1-CE2 4.08Å; L94-F496 HydrophobicContact CD1-CZ 3.66Å; L94-L538 HydrophobicContact CD2-CG 4.21Å; L94-Q539 HydrophobicContact CD1-CG 3.95Å
95	L	89.8	Confident	80.6	Confident	23 Å²	23	45 Å²	45	12%	0.12	22%	0.215	C	C	.	.	S	Bend	trans	-121.1	123.5	-175.3	-58.8	174	0	0	0	109.9	F73 K74 N92 D99 P101 I493	F73-L95 HydrophobicContact CE1-CD2 3.76Å; F73-L95 HydrophobicContact CZ-CD2 3.93Å; K74-L95 HydrophobicContact CB-CD2 4.46Å; K74-L95 HydrophobicContact CD-CD2 3.85Å; N92-L95 HydrophobicContact CB-CB 4.31Å; N92-L95 PolarHBondContact OD1-N 3.49Å; N92-L95 VanDerWaalsContact OD1-N 3.13Å; L95-D99 HydrophobicContact CB-CB 4.08Å; L95-D99 HydrophobicContact CD2-CB 4.24Å; L95-P101 HydrophobicContact CD1-CG 3.49Å; L95-P101 VanDerWaalsContact CD1-CG 3.49Å; L95-P101 HydrophobicContact CD2-CG 3.87Å; L95-P101 HydrophobicContact CG-CG 4.34Å; L95-I493 HydrophobicContact CD1-CD1 3.9Å; L95-I493 HydrophobicContact CD1-CG1 4.18Å
96	G	85.3	Confident	82.6	Confident	26 Å²	26	42.2 Å²	42.2	27%	0.268	20%	0.198	S	C	.	.			trans	-63.1	169.4	167.9	0	0	0	0	0	112.4	H98 D99	G96-H98 PolarHBondContact O-N 2.87Å; G96-D99 WeakPolarHBondContact CA-OD2 3.22Å; G96-D99 PolarHBondContact N-OD2 3.35Å; G96-D99 WeakPolarHBondContact O-CB 3.44Å; G96-D99 PolarHBondContact O-N 3.36Å
97	E	80.4	Confident	84.4	Confident	87 Å²	87	44.2 Å²	44.2	41%	0.407	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-36.5	-172.9	-167	177.4	139.7	0	0	114.3	F88	F88-E97 HydrophobicContact CD2-CG 3.44Å; F88-E97 VanDerWaalsContact CD2-CG 3.44Å; F88-E97 WeakPolarHBondContact CD2-OE1 3.22Å; F88-E97 HydrophobicContact CE2-CG 3.06Å; F88-E97 WeakPolarHBondContact CE2-OE1 3.28Å; F88-E97 HydrophobicContact CG-CG 4.32Å; F88-E97 HydrophobicContact CZ-CG 3.61Å
98	H	86	Confident	86.2	Confident	22 Å²	22	36.5 Å²	36.5	10%	0.102	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	12.9	-179	-55.6	-35.4	0	0	0	112.5	K53 F77 G96 V738	K53-H98 VanDerWaalsContact NZ-CG 3.28Å; K53-H98 PolarHBondContact NZ-ND1 2.92Å; F77-H98 HydrophobicContact CB-CB 4Å; F77-H98 HydrophobicContact CD1-CB 4.32Å; F77-H98 AromaticContact CD1-CD2 3.79Å; G96-H98 PolarHBondContact O-N 2.87Å; H98-V738 WeakPolarHBondContact ND1-CG1 3.33Å
99	D	91.1	Very high	87.9	Confident	12 Å²	12	34.5 Å²	34.5	6%	0.064	17%	0.167	C	C	.	.			trans	-76.7	142.8	-179	-70.8	-2.4	0	0	0	111.2	K74 I75 S76 L95 G96 R142	K74-D99 HydrophobicContact CD-CB 4.12Å; K74-D99 VanDerWaalsContact CD-OD2 3.31Å; K74-D99 WeakPolarHBondContact CD-OD2 3.43Å; K74-D99 WeakPolarHBondContact CE-OD2 3.47Å; K74-D99 IonicContact NZ-OD2 3.87Å; K74-D99 PolarHBondContact NZ-OD2 3.03Å; I75-D99 CarbonylContact O-C 3.49Å; I75-D99 VanDerWaalsContact O-CA 3.26Å; I75-D99 WeakPolarHBondContact O-CA 3.36Å; S76-D99 VanDerWaalsContact CA-OD1 3.23Å; S76-D99 WeakPolarHBondContact CA-OD1 3.48Å; S76-D99 WeakPolarHBondContact CB-OD1 3.47Å; S76-D99 PolarHBondContact OG-OD1 3.48Å; S76-D99 PolarHBondContact OG-OD2 2.96Å; L95-D99 HydrophobicContact CB-CB 4.08Å; L95-D99 HydrophobicContact CD2-CB 4.24Å; G96-D99 WeakPolarHBondContact CA-OD2 3.22Å; G96-D99 PolarHBondContact N-OD2 3.35Å; G96-D99 WeakPolarHBondContact O-CB 3.44Å; G96-D99 PolarHBondContact O-N 3.36Å; D99-R142 PolarHBondContact O-NH1 2.71Å
100	V	93.6	Very high	89.3	Confident	4 Å²	4	31 Å²	31	2%	0.024	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	115.5	173.6	-177.1	0	0	0	0	108.1	K74 I75 L102 C104 I105 V144	K74-V100 CarbonylContact C-O 3.51Å; K74-V100 VanDerWaalsContact CA-O 3.32Å; K74-V100 WeakPolarHBondContact CA-O 3.45Å; K74-V100 WeakPolarHBondContact CB-O 3.38Å; I75-V100 PolarHBondContact N-O 3.37Å; I75-V100 PolarHBondContact O-N 3.46Å; V100-L102 PolarHBondContact O-N 3.5Å; V100-C104 HydrophobicContact CG1-CB 4.23Å; V100-I105 HydrophobicContact CG1-CG1 4.07Å; V100-V144 HydrophobicContact CG2-CG2 4.26Å
101	P	95.2	Very high	90.2	Very high	4 Å²	4	31 Å²	31	3%	0.026	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	138.6	171.6	-23.2	32.7	0	0	0	110.6	L95 T103 C104 I493	L95-P101 HydrophobicContact CD1-CG 3.49Å; L95-P101 VanDerWaalsContact CD1-CG 3.49Å; L95-P101 HydrophobicContact CD2-CG 3.87Å; L95-P101 HydrophobicContact CG-CG 4.34Å; P101-T103 PolarHBondContact O-N 3.27Å; P101-C104 HydrophobicContact CB-CB 4.19Å; P101-C104 HydrophobicContact CG-CB 4.46Å; P101-C104 WeakPolarHBondContact O-CA 3.26Å; P101-C104 WeakPolarHBondContact O-CB 3.46Å; P101-C104 PolarHBondContact O-N 2.96Å; P101-I493 HydrophobicContact CG-CG1 4.35Å
102	L	95.5	Very high	91	Very high	7 Å²	7	23.6 Å²	23.6	4%	0.037	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-59	-35.7	-178.7	-73.4	172.7	0	0	0	112.5	S71 F73 I75 V100 C104 I105	S71-L102 WeakPolarHBondContact O-CD1 3.48Å; F73-L102 WeakPolarHBondContact O-CB 3.32Å; F73-L102 WeakPolarHBondContact O-CG 3.11Å; F73-L102 PolarHBondContact O-N 2.49Å; I75-L102 HydrophobicContact CG1-CD2 4.04Å; V100-L102 PolarHBondContact O-N 3.5Å; L102-C104 PolarHBondContact O-N 2.92Å; L102-I105 HydrophobicContact CD2-CD1 3.9Å; L102-I105 WeakPolarHBondContact O-CB 3.48Å; L102-I105 PolarHBondContact O-N 3.15Å; L102-I105 VanDerWaalsContact O-N 3.16Å
103	T	94.6	Very high	90.9	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.025	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-68.5	-17	176.2	36.6	0	0	0	0	114.4	P101 L175 H448 R492 S494	P101-T103 PolarHBondContact O-N 3.27Å; T103-L175 HydrophobicContact CG2-CD2 3.74Å; T103-H448 HydrophobicContact CG2-CB 4.09Å; T103-R492 PolarHBondContact OG1-O 2.93Å; T103-S494 PolarHBondContact OG1-OG 3.36Å
104	C	94.6	Very high	90.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-81.9	-20.7	174.2	-168.3	0	0	0	0	112.2	V100 P101 L102 E106 C138 K139 D140 R492	V100-C104 HydrophobicContact CG1-CB 4.23Å; P101-C104 HydrophobicContact CB-CB 4.19Å; P101-C104 HydrophobicContact CG-CB 4.46Å; P101-C104 WeakPolarHBondContact O-CA 3.26Å; P101-C104 WeakPolarHBondContact O-CB 3.46Å; P101-C104 PolarHBondContact O-N 2.96Å; L102-C104 PolarHBondContact O-N 2.92Å; C104-E106 PolarHBondContact O-N 3.49Å; C104-C138 CarbonylContact O-C 3.56Å; C104-C138 WeakPolarHBondContact O-CA 3.39Å; C104-K139 PolarHBondContact O-N 2.85Å; C104-D140 PolarHBondContact SG-OD2 3.44Å; C104-D140 VanDerWaalsContact SG-OD2 3.41Å; C104-R492 HydrophobicContact CB-CB 4.19Å
105	I	94.4	Very high	90.5	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	125	178.9	-61.3	170.2	0	0	0	108.7	I75 V100 L102 I108 I136 I163 K450	I75-I105 HydrophobicContact CD1-CD1 3.4Å; I75-I105 VanDerWaalsContact CD1-CD1 3.4Å; I75-I105 HydrophobicContact CD1-CG1 4.46Å; I75-I105 HydrophobicContact CG1-CD1 4.07Å; V100-I105 HydrophobicContact CG1-CG1 4.07Å; L102-I105 HydrophobicContact CD2-CD1 3.9Å; L102-I105 WeakPolarHBondContact O-CB 3.48Å; L102-I105 PolarHBondContact O-N 3.15Å; L102-I105 VanDerWaalsContact O-N 3.16Å; I105-I108 HydrophobicContact CG2-CD1 3.94Å; I105-I108 HydrophobicContact CG2-CG1 3.59Å; I105-I136 HydrophobicContact CB-CG2 4.4Å; I105-I136 HydrophobicContact CD1-CG2 4.45Å; I105-I136 HydrophobicContact CG1-CG2 3.94Å; I105-I136 HydrophobicContact CG2-CG2 3.88Å; I105-I163 HydrophobicContact CD1-CG2 4.06Å; I105-K450 WeakPolarHBondContact O-CE 3.47Å; I105-K450 PolarHBondContact O-NZ 3.38Å
106	E	90.8	Very high	90.3	Very high	62 Å²	62	45.5 Å²	45.5	29%	0.29	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-55.6	175.6	-175.8	-179.4	-120.8	0	0	110.7	C104 Y137 K139 K346 K450	C104-E106 PolarHBondContact O-N 3.49Å; E106-Y137 WeakPolarHBondContact CA-O 3Å; E106-Y137 WeakPolarHBondContact CB-O 3.46Å; E106-Y137 PolarHBondContact N-O 2.94Å; E106-K139 HydrophobicContact CB-CG 4.08Å; E106-K346 IonicContact OE1-NZ 2.81Å; E106-K346 PolarHBondContact OE1-NZ 3.01Å; E106-K346 IonicContact OE2-NZ 3.92Å; E106-K346 PolarHBondContact OE2-NZ 3.35Å; E106-K450 PolarHBondContact O-NZ 2.94Å
107	Q	91	Very high	90.5	Very high	76 Å²	76	50 Å²	50	36%	0.355	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	143.2	-173.7	-173.9	-177.5	14.6	0	0	110.4	V109 V120 Y137	Q107-V109 HydrophobicContact CG-CG2 4.28Å; Q107-V120 HydrophobicContact CG-CG1 3.74Å; Q107-V120 VanDerWaalsContact NE2-CG2 3.32Å; Q107-Y137 HydrophobicContact CB-CD2 4.22Å; Q107-Y137 HydrophobicContact CG-CD2 4.48Å; Q107-Y137 PolarHBondContact N-O 3Å; Q107-Y137 PolarHBondContact O-N 3.06Å
108	I	93.2	Very high	91	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.6	178.1	-60.6	154.9	0	0	0	108.2	I105 V120 L121 L134 I163 A164 S167	I105-I108 HydrophobicContact CG2-CD1 3.94Å; I105-I108 HydrophobicContact CG2-CG1 3.59Å; I108-V120 CarbonylContact O-C 3.48Å; I108-V120 WeakPolarHBondContact O-CA 3.23Å; I108-L121 HydrophobicContact CB-CB 4.34Å; I108-L121 HydrophobicContact CG2-CB 4.17Å; I108-L121 HydrophobicContact CG2-CD1 4.33Å; I108-L121 PolarHBondContact O-N 2.82Å; I108-L134 HydrophobicContact CG2-CD1 3.46Å; I108-L134 VanDerWaalsContact CG2-CD1 3.46Å; I108-I163 HydrophobicContact CD1-CG2 3.69Å; I108-I163 HydrophobicContact CG1-CG2 4.28Å; I108-A164 HydrophobicContact CD1-CB 4.08Å; I108-S167 WeakPolarHBondContact CD1-OG 3.39Å
109	V	92.6	Very high	91.3	Very high	13 Å²	13	55.3 Å²	55.3	8%	0.079	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	129.5	177.4	-175.3	0	0	0	0	108.8	Q107 V111 V120 I135 Y137	Q107-V109 HydrophobicContact CG-CG2 4.28Å; V109-V111 HydrophobicContact CG1-CG2 4.26Å; V109-V120 HydrophobicContact CG2-CG2 4.23Å; V109-I135 HydrophobicContact CB-CB 4.24Å; V109-I135 PolarHBondContact N-O 2.79Å; V109-I135 PolarHBondContact O-N 2.84Å; V109-Y137 HydrophobicContact CG2-CD2 4.27Å; V109-Y137 HydrophobicContact CG2-CE2 3.8Å
110	T	93.9	Very high	91.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	136.9	172.2	48.6	0	0	0	0	109.7	Q118 K119 L121 L127 P131 E133 L134 C160	T110-Q118 CarbonylContact O-C 3.24Å; T110-Q118 WeakPolarHBondContact O-CA 3.41Å; T110-K119 PolarHBondContact N-O 3.31Å; T110-K119 PolarHBondContact O-N 3.49Å; T110-K119 PolarHBondContact OG1-O 2.91Å; T110-L121 HydrophobicContact CG2-CD1 3.39Å; T110-L121 HydrophobicContact CG2-CG 4Å; T110-L127 HydrophobicContact CG2-CD2 4.27Å; T110-P131 HydrophobicContact CG2-CB 4.24Å; T110-E133 WeakPolarHBondContact CA-O 3.49Å; T110-L134 HydrophobicContact CG2-CD1 4.07Å; T110-C160 HydrophobicContact CG2-CB 3.98Å
111	V	91.4	Very high	91	Very high	18 Å²	18	58.3 Å²	58.3	11%	0.109	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.6	-179.1	-175.4	0	0	0	0	109	V109 D113 K117 Q118 P131 T132 E133 I135	V109-V111 HydrophobicContact CG1-CG2 4.26Å; V111-D113 WeakPolarHBondContact CG1-OD1 3.25Å; V111-K117 CarbonylContact C-O 3.44Å; V111-K117 WeakPolarHBondContact CA-O 3.25Å; V111-Q118 HydrophobicContact CG2-CB 4.14Å; V111-P131 CarbonylContact O-C 3.53Å; V111-P131 WeakPolarHBondContact O-CA 3.43Å; V111-T132 PolarHBondContact O-N 3.32Å; V111-T132 PolarHBondContact O-OG1 3.14Å; V111-E133 HydrophobicContact CB-CB 4.2Å; V111-E133 PolarHBondContact N-O 3.06Å; V111-E133 PolarHBondContact O-N 3.02Å; V111-I135 HydrophobicContact CG2-CD1 4.17Å
112	N	91.4	Very high	90.3	Very high	10 Å²	10	58.6 Å²	58.6	5%	0.053	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	104.4	165.5	179.6	-51.3	0	0	0	107.7	H114 K115 R116 K117 F129 N130 T132	N112-H114 PolarHBondContact OD1-N 2.81Å; N112-K115 PolarHBondContact O-N 3.3Å; N112-K115 WeakPolarHBondContact OD1-CB 3.35Å; N112-K115 PolarHBondContact OD1-N 3.22Å; N112-R116 WeakPolarHBondContact O-CA 3.14Å; N112-R116 PolarHBondContact O-N 3.06Å; N112-K117 PolarHBondContact N-O 3.03Å; N112-K117 PolarHBondContact O-N 2.96Å; N112-F129 HydrophobicContact CB-CD2 3.45Å; N112-F129 VanDerWaalsContact CB-CD2 3.45Å; N112-F129 HydrophobicContact CB-CE2 3.72Å; N112-F129 HydrophobicContact CB-CG 4.14Å; N112-N130 PolarHBondContact ND2-O 3.19Å; N112-T132 WeakPolarHBondContact CA-OG1 3.39Å
113	D	84.2	Confident	89.2	Confident	70 Å²	70	61.1 Å²	61.1	37%	0.374	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-41.1	-174.8	-62.2	-51.4	0	0	0	111.6	V111 K115 R116 T132	V111-D113 WeakPolarHBondContact CG1-OD1 3.25Å; D113-K115 PolarHBondContact O-N 2.83Å; D113-R116 PolarHBondContact O-N 3.03Å; D113-T132 PolarHBondContact N-OG1 2.67Å; D113-T132 PolarHBondContact OD2-OG1 3.17Å
114	H	86.4	Confident	88.2	Confident	169 Å²	169	67.2 Å²	67.2	78%	0.782	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.5	179	-55.2	-57.9	0	0	0	112.9	N112	N112-H114 PolarHBondContact OD1-N 2.81Å
115	K	85.9	Confident	87.6	Confident	130 Å²	130	70.8 Å²	70.8	57%	0.565	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-1.4	179.3	-63.2	-172.9	178.9	-175.3	0	113	N112 D113 K117	N112-K115 PolarHBondContact O-N 3.3Å; N112-K115 WeakPolarHBondContact OD1-CB 3.35Å; N112-K115 PolarHBondContact OD1-N 3.22Å; D113-K115 PolarHBondContact O-N 2.83Å; K115-K117 HydrophobicContact CB-CD 4.31Å; K115-K117 HydrophobicContact CB-CG 4.1Å; K115-K117 WeakPolarHBondContact O-CG 3.48Å; K115-K117 PolarHBondContact O-N 3.3Å
116	R	85.4	Confident	87.1	Confident	238 Å²	238	79.2 Å²	79.2	90%	0.898	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	44.7	-171	-60.6	-175.4	179.2	-172.5	-0.4	112.6	N112 D113	N112-R116 WeakPolarHBondContact O-CA 3.14Å; N112-R116 PolarHBondContact O-N 3.06Å; D113-R116 PolarHBondContact O-N 3.03Å
117	K	88.9	Confident	87	Confident	120 Å²	120	76.5 Å²	76.5	52%	0.522	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.4	178.6	-68.6	-172.4	-178.1	-174.1	0	109.7	V111 N112 K115 F129	V111-K117 CarbonylContact C-O 3.44Å; V111-K117 WeakPolarHBondContact CA-O 3.25Å; N112-K117 PolarHBondContact N-O 3.03Å; N112-K117 PolarHBondContact O-N 2.96Å; K115-K117 HydrophobicContact CB-CD 4.31Å; K115-K117 HydrophobicContact CB-CG 4.1Å; K115-K117 WeakPolarHBondContact O-CG 3.48Å; K115-K117 PolarHBondContact O-N 3.3Å; K117-F129 HydrophobicContact CB-CD1 4.23Å; K117-F129 HydrophobicContact CB-CE1 4.1Å; K117-F129 HydrophobicContact CD-CD1 4.48Å
118	Q	91.4	Very high	86.8	Confident	155 Å²	155	82.2 Å²	82.2	72%	0.724	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	147.6	168.6	65	-179.4	5.9	0	0	110.1	T110 V111	T110-Q118 CarbonylContact O-C 3.24Å; T110-Q118 WeakPolarHBondContact O-CA 3.41Å; V111-Q118 HydrophobicContact CG2-CB 4.14Å
119	K	91.4	Very high	86.7	Confident	65 Å²	65	82.9 Å²	82.9	28%	0.283	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	126.4	177.3	-178.5	171.7	177.8	178.9	0	110.7	T110 L121 K126 L127 F129	T110-K119 PolarHBondContact N-O 3.31Å; T110-K119 PolarHBondContact O-N 3.49Å; T110-K119 PolarHBondContact OG1-O 2.91Å; K119-L121 HydrophobicContact CD-CD2 4.46Å; K119-L121 PolarHBondContact O-N 3.27Å; K119-K126 PolarHBondContact NZ-O 3.41Å; K119-L127 HydrophobicContact CD-CD1 4.26Å; K119-F129 HydrophobicContact CB-CE1 4Å; K119-F129 HydrophobicContact CB-CZ 4.11Å
120	V	91.3	Very high	86.7	Confident	76 Å²	76	85.7 Å²	85.7	46%	0.461	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	121.3	164.3	-174.7	0	0	0	0	108.1	Q107 I108 V109 Q125	Q107-V120 HydrophobicContact CG-CG1 3.74Å; Q107-V120 VanDerWaalsContact NE2-CG2 3.32Å; I108-V120 CarbonylContact O-C 3.48Å; I108-V120 WeakPolarHBondContact O-CA 3.23Å; V109-V120 HydrophobicContact CG2-CG2 4.23Å; V120-Q125 PolarHBondContact O-OE1 2.89Å
121	L	86.9	Confident	86.7	Confident	3 Å²	3	86 Å²	86	2%	0.016	40%	0.404	C	S	.	.			trans	-89.5	115.5	179.3	-76.9	-177.2	0	0	0	110.5	I108 T110 K119 L127 C160 A164	I108-L121 HydrophobicContact CB-CB 4.34Å; I108-L121 HydrophobicContact CG2-CB 4.17Å; I108-L121 HydrophobicContact CG2-CD1 4.33Å; I108-L121 PolarHBondContact O-N 2.82Å; T110-L121 HydrophobicContact CG2-CD1 3.39Å; T110-L121 HydrophobicContact CG2-CG 4Å; K119-L121 HydrophobicContact CD-CD2 4.46Å; K119-L121 PolarHBondContact O-N 3.27Å; L121-L127 HydrophobicContact CD2-CB 4.45Å; L121-L127 HydrophobicContact CD2-CD1 4.13Å; L121-C160 HydrophobicContact CD1-CB 4.03Å; L121-A164 HydrophobicContact CB-CB 3.95Å; L121-A164 HydrophobicContact CD1-CB 4.38Å
122	G	80.9	Confident	86.8	Confident	11 Å²	11	85.8 Å²	85.8	11%	0.113	40%	0.403	C	S	.	.			trans	-95.9	-178.5	165.7	0	0	0	0	0	112.8
123	P	72.5	Confident	86.9	Confident	59 Å²	59	86 Å²	86	38%	0.383	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	143.1	-177.8	32.2	-27.8	0	0	0	109.3	Q125 Q168	P123-Q125 PolarHBondContact O-N 3.46Å; P123-Q168 HydrophobicContact CB-CB 4.21Å
124	N	73.6	Confident	87.4	Confident	133 Å²	133	82.7 Å²	82.7	71%	0.711	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	15.5	178	-57.8	-36.2	0	0	0	115.5
125	Q	82	Confident	87.6	Confident	76 Å²	76	75.6 Å²	75.6	36%	0.355	35%	0.354	S	S	.	.			trans	-81.9	135.2	177.9	-67.4	-169.2	6.6	0	0	111.6	V120 P123 L161	V120-Q125 PolarHBondContact O-OE1 2.89Å; P123-Q125 PolarHBondContact O-N 3.46Å; Q125-L161 VanDerWaalsContact O-CD2 3.25Å; Q125-L161 WeakPolarHBondContact O-CD2 2.91Å
126	K	84.4	Confident	87.9	Confident	177 Å²	177	69.4 Å²	69.4	77%	0.77	33%	0.327	S	S	*	.			trans	-74.6	136.2	171.3	-62.4	-177	-178.3	-179.9	0	110.6	K119	K119-K126 PolarHBondContact NZ-O 3.41Å
127	L	87.9	Confident	88.1	Confident	6 Å²	6	61.1 Å²	61.1	3%	0.031	30%	0.296	C	S	.	.			trans	-96.6	115.8	169.8	-170	57.9	0	0	0	109.5	T110 K119 L121 F129 P131 K157 L161	T110-L127 HydrophobicContact CG2-CD2 4.27Å; K119-L127 HydrophobicContact CD-CD1 4.26Å; L121-L127 HydrophobicContact CD2-CB 4.45Å; L121-L127 HydrophobicContact CD2-CD1 4.13Å; L127-F129 VanDerWaalsContact C-N 3.34Å; L127-F129 HydrophobicContact CD1-CD1 4.03Å; L127-F129 HydrophobicContact CD1-CD2 4.26Å; L127-F129 HydrophobicContact CD1-CE1 3.66Å; L127-F129 HydrophobicContact CD1-CE2 3.92Å; L127-F129 HydrophobicContact CD1-CG 4.33Å; L127-F129 HydrophobicContact CD1-CZ 3.62Å; L127-F129 WeakPolarHBondContact CG-O 2.81Å; L127-P131 HydrophobicContact CD2-CB 4.39Å; L127-P131 HydrophobicContact CD2-CG 4.09Å; L127-K157 HydrophobicContact CD2-CG 4.27Å; L127-K157 WeakPolarHBondContact O-CE 3.34Å; L127-K157 PolarHBondContact O-NZ 3.42Å; L127-L161 HydrophobicContact CB-CD2 4.09Å
128	K	88.1	Confident	88.3	Confident	196 Å²	196	55.5 Å²	55.5	85%	0.852	27%	0.272	S	S	*	.			trans	-87.4	-0.2	-173.9	-66	-175.7	179	-179.5	0	113.8
129	F	91.1	Very high	88.3	Confident	16 Å²	16	48.6 Å²	48.6	7%	0.07	24%	0.239	C	C	.	.	S	Bend	trans	-136.4	168.4	179.2	60.8	-100.3	0	0	0	110.2	N112 K117 K119 L127	N112-F129 HydrophobicContact CB-CD2 3.45Å; N112-F129 VanDerWaalsContact CB-CD2 3.45Å; N112-F129 HydrophobicContact CB-CE2 3.72Å; N112-F129 HydrophobicContact CB-CG 4.14Å; K117-F129 HydrophobicContact CB-CD1 4.23Å; K117-F129 HydrophobicContact CB-CE1 4.1Å; K117-F129 HydrophobicContact CD-CD1 4.48Å; K119-F129 HydrophobicContact CB-CE1 4Å; K119-F129 HydrophobicContact CB-CZ 4.11Å; L127-F129 VanDerWaalsContact C-N 3.34Å; L127-F129 HydrophobicContact CD1-CD1 4.03Å; L127-F129 HydrophobicContact CD1-CD2 4.26Å; L127-F129 HydrophobicContact CD1-CE1 3.66Å; L127-F129 HydrophobicContact CD1-CE2 3.92Å; L127-F129 HydrophobicContact CD1-CG 4.33Å; L127-F129 HydrophobicContact CD1-CZ 3.62Å; L127-F129 WeakPolarHBondContact CG-O 2.81Å
130	N	92.2	Very high	88.1	Confident	72 Å²	72	46 Å²	46	39%	0.385	23%	0.229	S	C	.	.			trans	-91.1	121.7	173.4	-61.7	-21.8	0	0	0	107.9	N112 P153	N112-N130 PolarHBondContact ND2-O 3.19Å; N130-P153 HydrophobicContact CB-CB 3.83Å
131	P	93.7	Very high	87.9	Confident	5 Å²	5	42.7 Å²	42.7	3%	0.032	21%	0.208	C	C	.	.			trans	-69.7	134.9	-177.4	28.8	-32.4	0	0	0	110.4	T110 V111 L127 F148 A156	T110-P131 HydrophobicContact CG2-CB 4.24Å; V111-P131 CarbonylContact O-C 3.53Å; V111-P131 WeakPolarHBondContact O-CA 3.43Å; L127-P131 HydrophobicContact CD2-CB 4.39Å; L127-P131 HydrophobicContact CD2-CG 4.09Å; P131-F148 HydrophobicContact CB-CD2 4.32Å; P131-F148 HydrophobicContact CB-CE2 4.38Å; P131-F148 HydrophobicContact CG-CD2 4.35Å; P131-F148 HydrophobicContact CG-CE2 4.36Å; P131-A156 HydrophobicContact CG-CB 4.23Å
132	T	93.8	Very high	87.8	Confident	14 Å²	14	43.8 Å²	43.8	9%	0.086	21%	0.212	C	C	.	.	S	Bend	trans	-90.8	-27.7	166.1	56	0	0	0	0	110.7	V111 N112 D113 R147 F148	V111-T132 PolarHBondContact O-N 3.32Å; V111-T132 PolarHBondContact O-OG1 3.14Å; N112-T132 WeakPolarHBondContact CA-OG1 3.39Å; D113-T132 PolarHBondContact N-OG1 2.67Å; D113-T132 PolarHBondContact OD2-OG1 3.17Å; T132-R147 WeakPolarHBondContact O-CA 3.46Å; T132-F148 PolarHBondContact O-N 3.24Å
133	E	92.8	Very high	88	Confident	16 Å²	16	43.7 Å²	43.7	8%	0.075	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	145.9	-178.6	-178.8	174.3	161.5	0	0	111.5	T110 V111 I135 F146 R147	T110-E133 WeakPolarHBondContact CA-O 3.49Å; V111-E133 HydrophobicContact CB-CB 4.2Å; V111-E133 PolarHBondContact N-O 3.06Å; V111-E133 PolarHBondContact O-N 3.02Å; E133-I135 HydrophobicContact CG-CG1 4.12Å; E133-F146 CarbonylContact C-O 3.48Å; E133-F146 VanDerWaalsContact CA-O 3.3Å; E133-F146 WeakPolarHBondContact CA-O 3.38Å; E133-R147 HydrophobicContact CB-CG 4.11Å; E133-R147 HydrophobicContact CG-CG 4.02Å; E133-R147 IonicContact OE2-CZ 2.83Å; E133-R147 IonicContact OE2-NE 3.88Å; E133-R147 PolarHBondContact OE2-NE 3.25Å; E133-R147 IonicContact OE2-NH2 3.05Å; E133-R147 PolarHBondContact OE2-NH2 3.13Å
134	L	93.9	Very high	88.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	123.1	173.6	171.3	67.5	0	0	0	108.8	L68 I108 T110 I136 R145 F146 F148 I163	L68-L134 HydrophobicContact CD2-CD2 4.12Å; I108-L134 HydrophobicContact CG2-CD1 3.46Å; I108-L134 VanDerWaalsContact CG2-CD1 3.46Å; T110-L134 HydrophobicContact CG2-CD1 4.07Å; L134-I136 HydrophobicContact CD1-CG1 4.32Å; L134-I136 HydrophobicContact CD2-CD1 4.13Å; L134-I136 HydrophobicContact CD2-CG1 4.35Å; L134-I136 HydrophobicContact CG-CD1 4.36Å; L134-I136 HydrophobicContact CG-CG1 4.04Å; L134-R145 WeakPolarHBondContact O-CA 3.42Å; L134-F146 HydrophobicContact CB-CB 4.35Å; L134-F146 HydrophobicContact CD2-CD2 4.18Å; L134-F146 PolarHBondContact N-O 3.33Å; L134-F146 PolarHBondContact O-N 2.87Å; L134-F148 HydrophobicContact CB-CE2 3.62Å; L134-F148 HydrophobicContact CB-CZ 3.8Å; L134-F148 HydrophobicContact CD2-CZ 4.15Å; L134-I163 HydrophobicContact CD2-CD1 3.89Å
135	I	91.5	Very high	89.4	Confident	19 Å²	19	37.9 Å²	37.9	10%	0.097	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.1	177.2	-49.5	173.1	0	0	0	108	V109 V111 E133 Y137 I143 V144 R145	V109-I135 HydrophobicContact CB-CB 4.24Å; V109-I135 PolarHBondContact N-O 2.79Å; V109-I135 PolarHBondContact O-N 2.84Å; V111-I135 HydrophobicContact CG2-CD1 4.17Å; E133-I135 HydrophobicContact CG-CG1 4.12Å; I135-Y137 HydrophobicContact CB-CE2 4.44Å; I135-Y137 HydrophobicContact CG2-CD2 4.26Å; I135-Y137 HydrophobicContact CG2-CE2 3.63Å; I135-I143 HydrophobicContact CG2-CG2 3.92Å; I135-V144 CarbonylContact C-O 3.55Å; I135-V144 WeakPolarHBondContact CA-O 3.42Å; I135-R145 HydrophobicContact CG1-CG 4.24Å; I135-R145 HydrophobicContact CG2-CG 4.16Å
136	I	92.1	Very high	89.9	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.4	-178.9	-52.9	-177.6	0	0	0	108.3	I75 I105 L134 I143 V144 F146	I75-I136 HydrophobicContact CD1-CD1 3.47Å; I75-I136 VanDerWaalsContact CD1-CD1 3.47Å; I105-I136 HydrophobicContact CB-CG2 4.4Å; I105-I136 HydrophobicContact CD1-CG2 4.45Å; I105-I136 HydrophobicContact CG1-CG2 3.94Å; I105-I136 HydrophobicContact CG2-CG2 3.88Å; L134-I136 HydrophobicContact CD1-CG1 4.32Å; L134-I136 HydrophobicContact CD2-CD1 4.13Å; L134-I136 HydrophobicContact CD2-CG1 4.35Å; L134-I136 HydrophobicContact CG-CD1 4.36Å; L134-I136 HydrophobicContact CG-CG1 4.04Å; I136-I143 CarbonylContact O-C 3.59Å; I136-I143 WeakPolarHBondContact O-CA 3.24Å; I136-V144 HydrophobicContact CB-CB 4.36Å; I136-V144 PolarHBondContact N-O 3.49Å; I136-V144 PolarHBondContact O-N 2.97Å; I136-F146 HydrophobicContact CD1-CD2 4.38Å; I136-F146 HydrophobicContact CD1-CE2 4.07Å
137	Y	90.7	Very high	90.3	Very high	64 Å²	64	29.9 Å²	29.9	25%	0.251	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.2	170.9	-62	-92.7	0	0	0	108.6	E106 Q107 V109 I135 I143	E106-Y137 WeakPolarHBondContact CA-O 3Å; E106-Y137 WeakPolarHBondContact CB-O 3.46Å; E106-Y137 PolarHBondContact N-O 2.94Å; Q107-Y137 HydrophobicContact CB-CD2 4.22Å; Q107-Y137 HydrophobicContact CG-CD2 4.48Å; Q107-Y137 PolarHBondContact N-O 3Å; Q107-Y137 PolarHBondContact O-N 3.06Å; V109-Y137 HydrophobicContact CG2-CD2 4.27Å; V109-Y137 HydrophobicContact CG2-CE2 3.8Å; I135-Y137 HydrophobicContact CB-CE2 4.44Å; I135-Y137 HydrophobicContact CG2-CD2 4.26Å; I135-Y137 HydrophobicContact CG2-CE2 3.63Å; Y137-I143 HydrophobicContact CD1-CD1 3.94Å; Y137-I143 HydrophobicContact CD1-CG1 3.83Å; Y137-I143 HydrophobicContact CE1-CD1 3.69Å; Y137-I143 HydrophobicContact CE1-CG1 4.04Å; Y137-I143 HydrophobicContact CE1-CG2 4.41Å
138	C	91.8	Very high	90.6	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.007	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	153.4	-176.4	-57.4	0	0	0	0	111.5	C104 D140 F141 R142 K346	C104-C138 CarbonylContact O-C 3.56Å; C104-C138 WeakPolarHBondContact O-CA 3.39Å; C138-D140 WeakPolarHBondContact CB-OD1 3.38Å; C138-D140 PolarHBondContact O-N 2.9Å; C138-F141 PolarHBondContact O-N 2.83Å; C138-R142 HydrophobicContact CB-CB 3.93Å; C138-R142 VanDerWaalsContact CB-O 3.29Å; C138-R142 WeakPolarHBondContact CB-O 3.31Å; C138-R142 PolarHBondContact N-O 3.15Å; C138-K346 VanDerWaalsContact O-CE 3.26Å; C138-K346 WeakPolarHBondContact O-CE 3.43Å; C138-K346 PolarHBondContact O-NZ 3.15Å
139	K	91.5	Very high	90.6	Very high	10 Å²	10	24.8 Å²	24.8	4%	0.043	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-12.4	176.2	-71.8	-178.7	173.9	166.2	0	113.9	C104 E106 C446 N447 R492	C104-K139 PolarHBondContact O-N 2.85Å; E106-K139 HydrophobicContact CB-CG 4.08Å; K139-C446 PolarHBondContact NZ-O 3.49Å; K139-N447 PolarHBondContact NZ-O 3.28Å; K139-R492 PolarHBondContact O-NE 2.87Å; K139-R492 PolarHBondContact O-NH2 3.49Å
140	D	88.2	Confident	90.4	Very high	12 Å²	12	30 Å²	30	6%	0.064	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	23.1	179.4	64.5	-2.3	0	0	0	112.5	C104 C138 R142 W660	C104-D140 PolarHBondContact SG-OD2 3.44Å; C104-D140 VanDerWaalsContact SG-OD2 3.41Å; C138-D140 WeakPolarHBondContact CB-OD1 3.38Å; C138-D140 PolarHBondContact O-N 2.9Å; D140-R142 PolarHBondContact O-N 3.46Å; D140-R142 WeakPolarHBondContact OD1-CB 3.43Å; D140-R142 PolarHBondContact OD1-N 2.75Å; D140-R142 IonicContact OD1-NE 2.68Å; D140-R142 PolarHBondContact OD1-NE 2.79Å; D140-R142 IonicContact OD2-CZ 3.34Å; D140-R142 IonicContact OD2-NE 2.67Å; D140-R142 PolarHBondContact OD2-NE 2.77Å; D140-R142 IonicContact OD2-NH2 2.74Å; D140-R142 PolarHBondContact OD2-NH2 2.96Å; D140-W660 PolarHBondContact O-NE1 2.67Å
141	F	86.7	Confident	90.4	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.026	12%	0.123	C	C	.	.	S	Bend	trans	72	-0.2	179.5	-56.9	-108.5	0	0	0	115.1	C138 F342 K346 C349 V350 Y657	C138-F141 PolarHBondContact O-N 2.83Å; F141-F342 AromaticContact CE2-CE2 3.96Å; F141-F342 HydrophobicContact CE2-CE2 3.96Å; F141-F342 AromaticContact CE2-CZ 3.96Å; F141-F342 HydrophobicContact CE2-CZ 3.96Å; F141-F342 AromaticContact CZ-CE2 3.69Å; F141-F342 HydrophobicContact CZ-CE2 3.69Å; F141-F342 AromaticContact CZ-CZ 3.97Å; F141-F342 HydrophobicContact CZ-CZ 3.97Å; F141-K346 HydrophobicContact CD1-CG 3.95Å; F141-K346 HydrophobicContact CE1-CB 3.92Å; F141-K346 HydrophobicContact CE1-CG 3.82Å; F141-K346 HydrophobicContact CZ-CB 4.24Å; F141-K346 HydrophobicContact CZ-CG 4.26Å; F141-C349 HydrophobicContact CD1-CB 3.77Å; F141-C349 HydrophobicContact CE1-CB 3.84Å; F141-V350 HydrophobicContact CD1-CG1 4.37Å; F141-Y657 HydrophobicContact CE1-CD1 4.02Å; F141-Y657 AromaticContact CE2-CD1 3.69Å; F141-Y657 HydrophobicContact CE2-CD1 3.69Å; F141-Y657 HydrophobicContact CE2-CE1 4.23Å; F141-Y657 AromaticContact CZ-CD1 3.36Å; F141-Y657 HydrophobicContact CZ-CD1 3.36Å; F141-Y657 AromaticContact CZ-CE1 3.98Å; F141-Y657 HydrophobicContact CZ-CE1 3.98Å; F141-Y657 HydrophobicContact CZ-CG 4.35Å
142	R	84	Confident	90.3	Very high	25 Å²	25	28.7 Å²	28.7	9%	0.094	14%	0.141	C	C	.	.			trans	-70.5	135.6	170.4	-66.7	-174.8	-75.1	175.4	-6.1	111	D99 C138 D140 V144 W660	D99-R142 PolarHBondContact O-NH1 2.71Å; C138-R142 HydrophobicContact CB-CB 3.93Å; C138-R142 VanDerWaalsContact CB-O 3.29Å; C138-R142 WeakPolarHBondContact CB-O 3.31Å; C138-R142 PolarHBondContact N-O 3.15Å; D140-R142 PolarHBondContact O-N 3.46Å; D140-R142 WeakPolarHBondContact OD1-CB 3.43Å; D140-R142 PolarHBondContact OD1-N 2.75Å; D140-R142 IonicContact OD1-NE 2.68Å; D140-R142 PolarHBondContact OD1-NE 2.79Å; D140-R142 IonicContact OD2-CZ 3.34Å; D140-R142 IonicContact OD2-NE 2.67Å; D140-R142 PolarHBondContact OD2-NE 2.77Å; D140-R142 IonicContact OD2-NH2 2.74Å; D140-R142 PolarHBondContact OD2-NH2 2.96Å; R142-V144 HydrophobicContact CB-CG2 4.42Å; R142-W660 HydrophobicContact CG-CB 4.38Å; R142-W660 HydrophobicContact CG-CD2 3.48Å; R142-W660 VanDerWaalsContact CG-CD2 3.48Å; R142-W660 VanDerWaalsContact CG-CE2 3.43Å; R142-W660 HydrophobicContact CG-CE3 4.17Å; R142-W660 HydrophobicContact CG-CG 3.55Å; R142-W660 HydrophobicContact CG-CZ2 4.04Å
143	I	84.8	Confident	90.1	Very high	10 Å²	10	31.3 Å²	31.3	5%	0.051	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.8	159.1	-59.7	179.1	0	0	0	105.9	I135 I136 Y137 R145 V350 N740 L741	I135-I143 HydrophobicContact CG2-CG2 3.92Å; I136-I143 CarbonylContact O-C 3.59Å; I136-I143 WeakPolarHBondContact O-CA 3.24Å; Y137-I143 HydrophobicContact CD1-CD1 3.94Å; Y137-I143 HydrophobicContact CD1-CG1 3.83Å; Y137-I143 HydrophobicContact CE1-CD1 3.69Å; Y137-I143 HydrophobicContact CE1-CG1 4.04Å; Y137-I143 HydrophobicContact CE1-CG2 4.41Å; I143-R145 HydrophobicContact CG2-CG 4.32Å; I143-V350 HydrophobicContact CD1-CB 4.02Å; I143-N740 CarbonylContact O-C 3.56Å; I143-N740 VanDerWaalsContact O-CA 3.24Å; I143-N740 WeakPolarHBondContact O-CA 3.29Å; I143-N740 WeakPolarHBondContact O-CB 3.08Å; I143-N740 PolarHBondContact O-N 3.18Å; I143-L741 HydrophobicContact CD1-CD2 4.04Å; I143-L741 HydrophobicContact CG1-CD2 4.29Å
144	V	87.1	Confident	90.1	Very high	6 Å²	6	37.1 Å²	37.1	4%	0.036	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.5	178.2	-170.2	0	0	0	0	108.6	V100 I135 I136 R142 F146	V100-V144 HydrophobicContact CG2-CG2 4.26Å; I135-V144 CarbonylContact C-O 3.55Å; I135-V144 WeakPolarHBondContact CA-O 3.42Å; I136-V144 HydrophobicContact CB-CB 4.36Å; I136-V144 PolarHBondContact N-O 3.49Å; I136-V144 PolarHBondContact O-N 2.97Å; R142-V144 HydrophobicContact CB-CG2 4.42Å; V144-F146 HydrophobicContact CB-CE2 4.35Å; V144-F146 HydrophobicContact CG1-CD2 4.17Å; V144-F146 HydrophobicContact CG1-CE1 4.22Å; V144-F146 HydrophobicContact CG1-CE2 3.42Å; V144-F146 VanDerWaalsContact CG1-CE2 3.42Å; V144-F146 HydrophobicContact CG1-CZ 3.45Å; V144-F146 VanDerWaalsContact CG1-CZ 3.45Å
145	R	89.1	Confident	90.1	Very high	63 Å²	63	39 Å²	39	24%	0.238	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.7	-177.3	-64.1	-172.1	-176.5	167.2	1.1	110.2	C54 L134 I135 I143 N740	C54-R145 HydrophobicContact CB-CB 4.03Å; C54-R145 PolarHBondContact N-O 3.4Å; L134-R145 WeakPolarHBondContact O-CA 3.42Å; I135-R145 HydrophobicContact CG1-CG 4.24Å; I135-R145 HydrophobicContact CG2-CG 4.16Å; I143-R145 HydrophobicContact CG2-CG 4.32Å; R145-N740 PolarHBondContact N-ND2 2.95Å
146	F	92.6	Very high	90.3	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.4	175.8	-62.5	-72	0	0	0	109.9	V51 R52 K53 L68 F77 E133 L134 I136 V144 F148	V51-F146 HydrophobicContact CG1-CB 3.77Å; V51-F146 HydrophobicContact CG1-CD1 3.77Å; V51-F146 HydrophobicContact CG1-CG 4.12Å; R52-F146 CarbonylContact O-C 3.52Å; R52-F146 VanDerWaalsContact O-CA 3.31Å; R52-F146 WeakPolarHBondContact O-CA 3.3Å; K53-F146 HydrophobicContact CB-CD1 3.88Å; K53-F146 HydrophobicContact CB-CE1 3.8Å; K53-F146 HydrophobicContact CD-CE1 4.06Å; K53-F146 HydrophobicContact CG-CD1 4.13Å; K53-F146 HydrophobicContact CG-CE1 3.75Å; L68-F146 HydrophobicContact CD1-CD1 4.36Å; L68-F146 HydrophobicContact CD1-CD2 4.22Å; L68-F146 HydrophobicContact CD1-CE1 3.92Å; L68-F146 HydrophobicContact CD1-CE2 3.75Å; L68-F146 HydrophobicContact CD1-CG 4.5Å; L68-F146 HydrophobicContact CD1-CZ 3.58Å; L68-F146 HydrophobicContact CD2-CD2 4.04Å; L68-F146 HydrophobicContact CD2-CE2 4.37Å; L68-F146 HydrophobicContact CD2-CG 4.12Å; F77-F146 HydrophobicContact CB-CE1 3.89Å; F77-F146 HydrophobicContact CB-CZ 4.09Å; F77-F146 HydrophobicContact CD2-CD1 4.14Å; F77-F146 AromaticContact CD2-CE1 3.57Å; F77-F146 HydrophobicContact CD2-CE1 3.57Å; F77-F146 HydrophobicContact CE2-CD1 4.46Å; F77-F146 HydrophobicContact CE2-CE1 4.25Å; F77-F146 AromaticContact CG-CE1 3.75Å; F77-F146 HydrophobicContact CG-CE1 3.75Å; F77-F146 HydrophobicContact CG-CZ 4.44Å; E133-F146 CarbonylContact C-O 3.48Å; E133-F146 VanDerWaalsContact CA-O 3.3Å; E133-F146 WeakPolarHBondContact CA-O 3.38Å; L134-F146 HydrophobicContact CB-CB 4.35Å; L134-F146 HydrophobicContact CD2-CD2 4.18Å; L134-F146 PolarHBondContact N-O 3.33Å; L134-F146 PolarHBondContact O-N 2.87Å; I136-F146 HydrophobicContact CD1-CD2 4.38Å; I136-F146 HydrophobicContact CD1-CE2 4.07Å; V144-F146 HydrophobicContact CB-CE2 4.35Å; V144-F146 HydrophobicContact CG1-CD2 4.17Å; V144-F146 HydrophobicContact CG1-CE1 4.22Å; V144-F146 HydrophobicContact CG1-CE2 3.42Å; V144-F146 VanDerWaalsContact CG1-CE2 3.42Å; V144-F146 HydrophobicContact CG1-CZ 3.45Å; V144-F146 VanDerWaalsContact CG1-CZ 3.45Å; F146-F148 HydrophobicContact CB-CZ 4.47Å
147	R	92.5	Very high	90.4	Very high	82 Å²	82	40.9 Å²	40.9	31%	0.309	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	145	173.2	-76.2	-173.4	163.1	180	-3.2	111.3	R52 T132 E133	R52-R147 HydrophobicContact CB-CB 4.37Å; R52-R147 PolarHBondContact N-O 3.19Å; R52-R147 PolarHBondContact O-N 3.08Å; T132-R147 WeakPolarHBondContact O-CA 3.46Å; E133-R147 HydrophobicContact CB-CG 4.11Å; E133-R147 HydrophobicContact CG-CG 4.02Å; E133-R147 IonicContact OE2-CZ 2.83Å; E133-R147 IonicContact OE2-NE 3.88Å; E133-R147 PolarHBondContact OE2-NE 3.25Å; E133-R147 IonicContact OE2-NH2 3.05Å; E133-R147 PolarHBondContact OE2-NH2 3.13Å
148	F	94.5	Very high	90.6	Very high	10 Å²	10	43.6 Å²	43.6	4%	0.044	22%	0.219	C	C	.	.			trans	-113.3	28.9	-173	-58.7	-60.6	0	0	0	111.8	V48 V51 L68 P131 T132 L134 F146 E150 S151 A156	V48-F148 HydrophobicContact CG1-CE1 4.1Å; V51-F148 HydrophobicContact CG1-CD1 4.3Å; V51-F148 HydrophobicContact CG1-CE1 4.09Å; V51-F148 HydrophobicContact CG2-CD1 4.03Å; V51-F148 HydrophobicContact CG2-CE1 4Å; L68-F148 HydrophobicContact CD2-CE1 4.25Å; L68-F148 HydrophobicContact CD2-CZ 4.36Å; P131-F148 HydrophobicContact CB-CD2 4.32Å; P131-F148 HydrophobicContact CB-CE2 4.38Å; P131-F148 HydrophobicContact CG-CD2 4.35Å; P131-F148 HydrophobicContact CG-CE2 4.36Å; T132-F148 PolarHBondContact O-N 3.24Å; L134-F148 HydrophobicContact CB-CE2 3.62Å; L134-F148 HydrophobicContact CB-CZ 3.8Å; L134-F148 HydrophobicContact CD2-CZ 4.15Å; F146-F148 HydrophobicContact CB-CZ 4.47Å; F148-E150 PolarHBondContact O-N 3.24Å; F148-E150 VanDerWaalsContact O-N 3.15Å; F148-S151 PolarHBondContact O-N 2.97Å; F148-S151 VanDerWaalsContact O-N 3.1Å; F148-A156 HydrophobicContact CB-CB 3.89Å; F148-A156 HydrophobicContact CD1-CB 3.72Å; F148-A156 HydrophobicContact CD2-CB 3.81Å; F148-A156 HydrophobicContact CE1-CB 4.17Å; F148-A156 HydrophobicContact CE2-CB 4.23Å; F148-A156 HydrophobicContact CG-CB 3.53Å; F148-A156 HydrophobicContact CZ-CB 4.4Å
149	D	88.2	Confident	90.8	Very high	84 Å²	84	43.5 Å²	43.5	45%	0.449	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-36.5	-173.3	-59.5	-31.4	0	0	0	112.3	R52	R52-D149 IonicContact CZ-OD2 3.16Å; R52-D149 IonicContact NH1-OD2 3.06Å; R52-D149 PolarHBondContact NH1-OD2 3.46Å; R52-D149 IonicContact NH2-OD2 3.15Å; R52-D149 PolarHBondContact NH2-OD2 3.37Å
150	E	87.9	Confident	91	Very high	126 Å²	126	43 Å²	43	59%	0.589	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.9	3.2	179.5	-62.9	-174.3	-165	0	0	113.3	F50 W65 F148	F50-E150 HydrophobicContact CB-CB 4.07Å; W65-E150 HydrophobicContact CH2-CB 4.28Å; W65-E150 HydrophobicContact CH2-CG 3.88Å; W65-E150 HydrophobicContact CZ3-CB 4.13Å; W65-E150 HydrophobicContact CZ3-CG 4.23Å; F148-E150 PolarHBondContact O-N 3.24Å; F148-E150 VanDerWaalsContact O-N 3.15Å
151	S	91.4	Very high	91.3	Very high	11 Å²	11	45.2 Å²	45.2	8%	0.077	23%	0.228	C	C	.	.	S	Bend	trans	-84.4	149	179.4	-48.7	0	0	0	0	111.4	N49 F50 F148	N49-S151 PolarHBondContact O-OG 3.42Å; N49-S151 VanDerWaalsContact O-OG 3.12Å; F50-S151 PolarHBondContact O-OG 2.76Å; F148-S151 PolarHBondContact O-N 2.97Å; F148-S151 VanDerWaalsContact O-N 3.1Å
152	G	91.1	Very high	91.7	Very high	38 Å²	38	45.4 Å²	45.4	39%	0.392	23%	0.23	S	C	.	.			trans	-60.6	125.2	172.4	0	0	0	0	0	111.1	E154 S155 A156	G152-E154 VanDerWaalsContact C-N 3.25Å; G152-E154 PolarHBondContact O-N 3.15Å; G152-E154 VanDerWaalsContact O-N 3.14Å; G152-S155 PolarHBondContact O-N 3.29Å; G152-S155 PolarHBondContact O-OG 3.18Å; G152-A156 PolarHBondContact O-N 3.45Å
153	P	90.9	Very high	92.3	Very high	70 Å²	70	44.2 Å²	44.2	46%	0.455	23%	0.226	S	C	.	.	H	α-helix	trans	-61.3	-31.7	-170.5	20.7	-32.8	0	0	0	113.6	N130 K157	N130-P153 HydrophobicContact CB-CB 3.83Å; P153-K157 VanDerWaalsContact O-CB 3.32Å; P153-K157 WeakPolarHBondContact O-CB 3.26Å; P153-K157 PolarHBondContact O-N 3.2Å; P153-K157 VanDerWaalsContact O-N 3.16Å
154	E	92.1	Very high	92.7	Very high	138 Å²	138	43.9 Å²	43.9	65%	0.645	22%	0.224	S	C	*	.	H	α-helix	trans	-70.5	-39.5	174.4	-63.2	-169.4	171.5	0	0	112.6	G152 K157 K158	G152-E154 VanDerWaalsContact C-N 3.25Å; G152-E154 PolarHBondContact O-N 3.15Å; G152-E154 VanDerWaalsContact O-N 3.14Å; E154-K157 PolarHBondContact O-N 3Å; E154-K158 WeakPolarHBondContact O-CB 3.12Å; E154-K158 VanDerWaalsContact O-CG 3.26Å; E154-K158 WeakPolarHBondContact O-CG 3.29Å; E154-K158 PolarHBondContact O-N 2.88Å
155	S	93.8	Very high	92.9	Very high	39 Å²	39	47.8 Å²	47.8	27%	0.273	24%	0.242	S	C	.	.	H	α-helix	trans	-67.7	-44.8	178.5	60.8	0	0	0	0	111.7	V48 G152 K157 K158 V159	V48-S155 WeakPolarHBondContact CG2-OG 3.42Å; G152-S155 PolarHBondContact O-N 3.29Å; G152-S155 PolarHBondContact O-OG 3.18Å; S155-K157 VanDerWaalsContact C-N 3.32Å; S155-K157 PolarHBondContact O-N 3.3Å; S155-K158 PolarHBondContact O-N 3.37Å; S155-K158 VanDerWaalsContact O-N 3.15Å; S155-V159 PolarHBondContact O-N 3.13Å
156	A	94.8	Very high	93.1	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56.9	-46.7	173.7	0	0	0	0	0	111.3	P131 F148 G152 K158 V159 C160	P131-A156 HydrophobicContact CG-CB 4.23Å; F148-A156 HydrophobicContact CB-CB 3.89Å; F148-A156 HydrophobicContact CD1-CB 3.72Å; F148-A156 HydrophobicContact CD2-CB 3.81Å; F148-A156 HydrophobicContact CE1-CB 4.17Å; F148-A156 HydrophobicContact CE2-CB 4.23Å; F148-A156 HydrophobicContact CG-CB 3.53Å; F148-A156 HydrophobicContact CZ-CB 4.4Å; G152-A156 PolarHBondContact O-N 3.45Å; A156-K158 PolarHBondContact O-N 3.33Å; A156-V159 PolarHBondContact O-N 2.94Å; A156-C160 PolarHBondContact O-N 3.36Å; A156-C160 PolarHBondContact O-SG 3.4Å
157	K	94.8	Very high	93.1	Very high	60 Å²	60	49 Å²	49	26%	0.261	25%	0.247	S	C	.	.	H	α-helix	trans	-59.3	-45.3	175.4	-177.3	176.3	-174.2	176.3	0	112.6	L127 P153 E154 S155 L161	L127-K157 HydrophobicContact CD2-CG 4.27Å; L127-K157 WeakPolarHBondContact O-CE 3.34Å; L127-K157 PolarHBondContact O-NZ 3.42Å; P153-K157 VanDerWaalsContact O-CB 3.32Å; P153-K157 WeakPolarHBondContact O-CB 3.26Å; P153-K157 PolarHBondContact O-N 3.2Å; P153-K157 VanDerWaalsContact O-N 3.16Å; E154-K157 PolarHBondContact O-N 3Å; S155-K157 VanDerWaalsContact C-N 3.32Å; S155-K157 PolarHBondContact O-N 3.3Å; K157-L161 HydrophobicContact CG-CD1 4.19Å; K157-L161 VanDerWaalsContact O-CG 3.3Å; K157-L161 WeakPolarHBondContact O-CG 3.3Å; K157-L161 PolarHBondContact O-N 3.01Å; K157-L161 VanDerWaalsContact O-N 3.1Å
158	K	94.9	Very high	93	Very high	120 Å²	120	46.9 Å²	46.9	52%	0.522	24%	0.241	S	C	.	.	H	α-helix	trans	-63.5	-43.9	179.6	-77.3	174.3	-178	173.5	0	111.9	N46 E154 S155 A156 L161 A162	N46-K158 WeakPolarHBondContact ND2-CB 3.22Å; E154-K158 WeakPolarHBondContact O-CB 3.12Å; E154-K158 VanDerWaalsContact O-CG 3.26Å; E154-K158 WeakPolarHBondContact O-CG 3.29Å; E154-K158 PolarHBondContact O-N 2.88Å; S155-K158 PolarHBondContact O-N 3.37Å; S155-K158 VanDerWaalsContact O-N 3.15Å; A156-K158 PolarHBondContact O-N 3.33Å; K158-L161 PolarHBondContact O-N 2.86Å; K158-A162 WeakPolarHBondContact O-CB 3.36Å; K158-A162 PolarHBondContact O-N 2.9Å
159	V	95.8	Very high	92.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.4	-45.4	176.8	167.7	0	0	0	0	111.7	N46 E47 V48 L68 S155 A156 L161 A162 I163	N46-V159 HydrophobicContact CB-CG2 3.86Å; N46-V159 WeakPolarHBondContact OD1-CG2 3.21Å; E47-V159 VanDerWaalsContact C-CG2 3.44Å; V48-V159 HydrophobicContact CB-CG2 3.89Å; V48-V159 HydrophobicContact CG1-CB 4.04Å; V48-V159 HydrophobicContact CG1-CG1 4.08Å; V48-V159 HydrophobicContact CG1-CG2 3.77Å; L68-V159 HydrophobicContact CD2-CG1 3.96Å; L68-V159 HydrophobicContact CG-CG1 4.28Å; S155-V159 PolarHBondContact O-N 3.13Å; A156-V159 PolarHBondContact O-N 2.94Å; V159-L161 VanDerWaalsContact C-N 3.3Å; V159-L161 PolarHBondContact O-N 3.4Å; V159-A162 PolarHBondContact O-N 3.05Å; V159-I163 HydrophobicContact CG1-CD1 3.65Å; V159-I163 HydrophobicContact CG1-CG1 4.32Å; V159-I163 VanDerWaalsContact O-CG1 3.3Å; V159-I163 WeakPolarHBondContact O-CG1 3.49Å; V159-I163 PolarHBondContact O-N 3Å
160	C	95.8	Very high	92.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58	-41.8	175.8	-69.3	0	0	0	0	112.5	T110 L121 A156 A164	T110-C160 HydrophobicContact CG2-CB 3.98Å; L121-C160 HydrophobicContact CD1-CB 4.03Å; A156-C160 PolarHBondContact O-N 3.36Å; A156-C160 PolarHBondContact O-SG 3.4Å; C160-A164 WeakPolarHBondContact O-CB 3.3Å; C160-A164 PolarHBondContact O-N 3.46Å; C160-A164 VanDerWaalsContact O-N 3.1Å
161	L	94.8	Very high	92.9	Very high	58 Å²	58	44 Å²	44	30%	0.304	23%	0.234	S	C	.	.	H	α-helix	trans	-69.1	-38.8	176.8	-69.7	172.7	0	0	0	112.3	Q125 L127 K157 K158 V159 A164 H165	Q125-L161 VanDerWaalsContact O-CD2 3.25Å; Q125-L161 WeakPolarHBondContact O-CD2 2.91Å; L127-L161 HydrophobicContact CB-CD2 4.09Å; K157-L161 HydrophobicContact CG-CD1 4.19Å; K157-L161 VanDerWaalsContact O-CG 3.3Å; K157-L161 WeakPolarHBondContact O-CG 3.3Å; K157-L161 PolarHBondContact O-N 3.01Å; K157-L161 VanDerWaalsContact O-N 3.1Å; K158-L161 PolarHBondContact O-N 2.86Å; V159-L161 VanDerWaalsContact C-N 3.3Å; V159-L161 PolarHBondContact O-N 3.4Å; L161-A164 PolarHBondContact O-N 2.89Å; L161-H165 WeakPolarHBondContact O-CB 3.47Å; L161-H165 PolarHBondContact O-N 2.82Å
162	A	94.9	Very high	93	Very high	10 Å²	10	43.8 Å²	43.8	8%	0.083	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-47.4	176	0	0	0	0	0	111.2	V45 N46 C70 K158 V159 A164 H165 Y166	V45-A162 HydrophobicContact CG1-CB 3.97Å; N46-A162 HydrophobicContact CB-CB 3.76Å; C70-A162 HydrophobicContact CB-CB 4.43Å; K158-A162 WeakPolarHBondContact O-CB 3.36Å; K158-A162 PolarHBondContact O-N 2.9Å; V159-A162 PolarHBondContact O-N 3.05Å; A162-A164 VanDerWaalsContact C-N 3.33Å; A162-A164 PolarHBondContact O-N 3.04Å; A162-H165 PolarHBondContact O-N 3.3Å; A162-Y166 WeakPolarHBondContact O-CD2 3.36Å; A162-Y166 PolarHBondContact O-N 3.12Å
163	I	95.6	Very high	93.1	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.9	-45.9	176.1	-69.2	166.3	0	0	0	110.8	L68 C70 I75 I105 I108 L134 V159 H165 S167	L68-I163 HydrophobicContact CD2-CD1 4.41Å; C70-I163 HydrophobicContact CB-CG1 3.79Å; I75-I163 HydrophobicContact CD1-CB 4.35Å; I75-I163 HydrophobicContact CD1-CD1 3.82Å; I75-I163 HydrophobicContact CD1-CG1 3.87Å; I75-I163 HydrophobicContact CD1-CG2 3.55Å; I75-I163 HydrophobicContact CG1-CD1 4.27Å; I75-I163 HydrophobicContact CG1-CG1 4.05Å; I75-I163 HydrophobicContact CG1-CG2 4.37Å; I105-I163 HydrophobicContact CD1-CG2 4.06Å; I108-I163 HydrophobicContact CD1-CG2 3.69Å; I108-I163 HydrophobicContact CG1-CG2 4.28Å; L134-I163 HydrophobicContact CD2-CD1 3.89Å; V159-I163 HydrophobicContact CG1-CD1 3.65Å; V159-I163 HydrophobicContact CG1-CG1 4.32Å; V159-I163 VanDerWaalsContact O-CG1 3.3Å; V159-I163 WeakPolarHBondContact O-CG1 3.49Å; V159-I163 PolarHBondContact O-N 3Å; I163-H165 VanDerWaalsContact C-N 3.33Å; I163-H165 PolarHBondContact O-N 3.05Å; I163-S167 WeakPolarHBondContact O-CB 3.31Å; I163-S167 PolarHBondContact O-N 3.34Å; I163-S167 PolarHBondContact O-OG 3.01Å
164	A	93.4	Very high	93.3	Very high	2 Å²	2	45.7 Å²	45.7	2%	0.017	23%	0.227	C	C	.	.	H	α-helix	trans	-63.9	-35.8	178.2	0	0	0	0	0	113.2	I108 L121 C160 L161 A162 S167	I108-A164 HydrophobicContact CD1-CB 4.08Å; L121-A164 HydrophobicContact CB-CB 3.95Å; L121-A164 HydrophobicContact CD1-CB 4.38Å; C160-A164 WeakPolarHBondContact O-CB 3.3Å; C160-A164 PolarHBondContact O-N 3.46Å; C160-A164 VanDerWaalsContact O-N 3.1Å; L161-A164 PolarHBondContact O-N 2.89Å; A162-A164 VanDerWaalsContact C-N 3.33Å; A162-A164 PolarHBondContact O-N 3.04Å; A164-S167 PolarHBondContact O-OG 2.58Å
165	H	92.6	Very high	93.4	Very high	89 Å²	89	39.5 Å²	39.5	41%	0.412	20%	0.198	S	C	.	.	H	α-helix	trans	-71.6	-51.2	177.2	177.9	-89.7	0	0	0	112.1	L161 A162 I163 Q168	L161-H165 WeakPolarHBondContact O-CB 3.47Å; L161-H165 PolarHBondContact O-N 2.82Å; A162-H165 PolarHBondContact O-N 3.3Å; I163-H165 VanDerWaalsContact C-N 3.33Å; I163-H165 PolarHBondContact O-N 3.05Å; H165-Q168 PolarHBondContact O-N 3.31Å
166	Y	93	Very high	93.5	Very high	89 Å²	89	37.8 Å²	37.8	35%	0.349	19%	0.186	S	C	.	.	H	α-helix	trans	-79.2	-20.6	-172.6	-79.7	-97.4	0	0	0	114	V45 N72 A162 Q168	V45-Y166 HydrophobicContact CB-CE2 4.19Å; V45-Y166 HydrophobicContact CG1-CD2 3.81Å; V45-Y166 HydrophobicContact CG1-CE2 3.28Å; V45-Y166 HydrophobicContact CG2-CD1 4.14Å; V45-Y166 HydrophobicContact CG2-CD2 4.21Å; V45-Y166 HydrophobicContact CG2-CE1 3.72Å; V45-Y166 HydrophobicContact CG2-CE2 3.84Å; V45-Y166 HydrophobicContact CG2-CG 4.35Å; N72-Y166 HydrophobicContact CB-CD1 4.21Å; N72-Y166 HydrophobicContact CB-CE1 4.16Å; A162-Y166 WeakPolarHBondContact O-CD2 3.36Å; A162-Y166 PolarHBondContact O-N 3.12Å; Y166-Q168 PolarHBondContact O-N 3.28Å
167	S	92.8	Very high	93.5	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.014	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-7.7	171.1	59.7	0	0	0	0	114.3	I108 I163 A164	I108-S167 WeakPolarHBondContact CD1-OG 3.39Å; I163-S167 WeakPolarHBondContact O-CB 3.31Å; I163-S167 PolarHBondContact O-N 3.34Å; I163-S167 PolarHBondContact O-OG 3.01Å; A164-S167 PolarHBondContact O-OG 2.58Å
168	Q	89.7	Confident	93.6	Very high	39 Å²	39	34.9 Å²	34.9	18%	0.182	17%	0.174	C	C	.	.	S	Bend	trans	-131.9	66.2	-176.5	-48.1	-159.2	-0.6	0	0	111.1	P123 H165 Y166 T170 K450	P123-Q168 HydrophobicContact CB-CB 4.21Å; H165-Q168 PolarHBondContact O-N 3.31Å; Y166-Q168 PolarHBondContact O-N 3.28Å; Q168-T170 PolarHBondContact O-N 3.07Å; Q168-K450 HydrophobicContact CB-CB 4.27Å; Q168-K450 HydrophobicContact CB-CG 4.2Å; Q168-K450 HydrophobicContact CG-CB 4.3Å; Q168-K450 HydrophobicContact CG-CG 3.98Å
169	P	89.8	Confident	93.5	Very high	14 Å²	14	31.9 Å²	31.9	9%	0.091	16%	0.161	C	C	.	.			trans	-60.8	136.7	-176.5	25.7	-34	0	0	0	111.3	D171 L174 L175 L449	P169-D171 VanDerWaalsContact C-N 3.33Å; P169-L174 HydrophobicContact CB-CB 3.9Å; P169-L175 HydrophobicContact CB-CD2 4.46Å; P169-L175 HydrophobicContact CG-CD2 3.66Å; P169-L449 HydrophobicContact CG-CD2 4.06Å
170	T	88.4	Confident	93.4	Very high	75 Å²	75	33.2 Å²	33.2	46%	0.46	17%	0.166	S	C	.	.	S	Bend	trans	-81.5	-12.1	-177.4	52.7	0	0	0	0	114.1	Q168 L174 R451	Q168-T170 PolarHBondContact O-N 3.07Å; T170-L174 VanDerWaalsContact OG1-CD1 3.29Å; T170-L174 WeakPolarHBondContact OG1-CD1 3.38Å; T170-R451 VanDerWaalsContact CB-NH2 3.29Å; T170-R451 PolarHBondContact O-NH1 2.88Å; T170-R451 PolarHBondContact O-NH2 3.37Å
171	D	91.1	Very high	93.3	Very high	70 Å²	70	33.3 Å²	33.3	37%	0.374	17%	0.167	S	C	.	.	S	Bend	trans	-146.9	154.1	-179.6	-173	-98.1	0	0	0	110.1	P169 Q173 L174	P169-D171 VanDerWaalsContact C-N 3.33Å; D171-Q173 VanDerWaalsContact C-N 3.27Å; D171-Q173 PolarHBondContact O-N 3.33Å; D171-Q173 VanDerWaalsContact OD1-CB 3.29Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.37Å; D171-Q173 WeakPolarHBondContact OD1-CG 3.48Å; D171-Q173 PolarHBondContact OD1-N 3.24Å; D171-L174 HydrophobicContact CB-CD1 4.32Å; D171-L174 HydrophobicContact CB-CG 4.28Å; D171-L174 WeakPolarHBondContact O-CB 3.21Å; D171-L174 PolarHBondContact O-N 2.91Å
172	L	93	Very high	93.1	Very high	6 Å²	6	30.7 Å²	30.7	3%	0.031	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-60.3	-37.7	178.8	-179.1	65.6	0	0	0	112.5	L174 L175 F178 L443 F501 Q510	L172-L174 PolarHBondContact O-N 3.18Å; L172-L175 HydrophobicContact CD1-CD1 3.59Å; L172-L175 HydrophobicContact CD1-CG 4.45Å; L172-L175 VanDerWaalsContact O-CB 3.31Å; L172-L175 WeakPolarHBondContact O-CB 3.45Å; L172-L175 WeakPolarHBondContact O-CG 3.06Å; L172-L175 PolarHBondContact O-N 3.14Å; L172-F178 HydrophobicContact CD2-CE2 4.44Å; L172-F178 HydrophobicContact CD2-CZ 4.35Å; L172-F178 HydrophobicContact CG-CE2 3.9Å; L172-F178 HydrophobicContact CG-CZ 4.24Å; L172-F178 WeakPolarHBondContact O-CD2 3.38Å; L172-F178 WeakPolarHBondContact O-CE2 3.44Å; L172-L443 HydrophobicContact CD1-CD1 3.43Å; L172-L443 VanDerWaalsContact CD1-CD1 3.43Å; L172-L443 HydrophobicContact CD1-CD2 3.73Å; L172-L443 HydrophobicContact CD1-CG 4.2Å; L172-L443 HydrophobicContact CD2-CD2 4.4Å; L172-F501 HydrophobicContact CD2-CD1 3.81Å; L172-F501 HydrophobicContact CD2-CE1 3.76Å; L172-Q510 HydrophobicContact CD2-CB 4Å; L172-Q510 HydrophobicContact CD2-CG 3.65Å
173	Q	94.1	Very high	92.8	Very high	43 Å²	43	34.4 Å²	34.4	20%	0.201	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-69.8	-11.8	-178.3	-61.4	-178.7	13.3	0	0	113	D171 L175 F178 F514	D171-Q173 VanDerWaalsContact C-N 3.27Å; D171-Q173 PolarHBondContact O-N 3.33Å; D171-Q173 VanDerWaalsContact OD1-CB 3.29Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.37Å; D171-Q173 WeakPolarHBondContact OD1-CG 3.48Å; D171-Q173 PolarHBondContact OD1-N 3.24Å; Q173-L175 VanDerWaalsContact C-N 3.3Å; Q173-F178 HydrophobicContact CB-CD1 4.48Å; Q173-F178 HydrophobicContact CB-CG 4.43Å; Q173-F178 HydrophobicContact CG-CD1 4.29Å; Q173-F178 HydrophobicContact CG-CE1 4.05Å; Q173-F178 HydrophobicContact CG-CZ 4.24Å; Q173-F514 HydrophobicContact CB-CD2 4Å; Q173-F514 HydrophobicContact CG-CB 4.41Å; Q173-F514 HydrophobicContact CG-CD2 4.18Å
174	L	93.7	Very high	92.3	Very high	106 Å²	106	39 Å²	39	56%	0.555	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-82.5	-7.5	172.2	-62.1	177	0	0	0	112.9	P169 T170 D171 L172	P169-L174 HydrophobicContact CB-CB 3.9Å; T170-L174 VanDerWaalsContact OG1-CD1 3.29Å; T170-L174 WeakPolarHBondContact OG1-CD1 3.38Å; D171-L174 HydrophobicContact CB-CD1 4.32Å; D171-L174 HydrophobicContact CB-CG 4.28Å; D171-L174 WeakPolarHBondContact O-CB 3.21Å; D171-L174 PolarHBondContact O-N 2.91Å; L172-L174 PolarHBondContact O-N 3.18Å
175	L	95.1	Very high	91.8	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.037	20%	0.196	C	C	.	.	S	Bend	trans	-68.7	141.6	170.1	-66	-179.3	0	0	0	110.5	T103 P169 L172 Q173 A177 F178 L443 H448 L449 L500	T103-L175 HydrophobicContact CG2-CD2 3.74Å; P169-L175 HydrophobicContact CB-CD2 4.46Å; P169-L175 HydrophobicContact CG-CD2 3.66Å; L172-L175 HydrophobicContact CD1-CD1 3.59Å; L172-L175 HydrophobicContact CD1-CG 4.45Å; L172-L175 VanDerWaalsContact O-CB 3.31Å; L172-L175 WeakPolarHBondContact O-CB 3.45Å; L172-L175 WeakPolarHBondContact O-CG 3.06Å; L172-L175 PolarHBondContact O-N 3.14Å; Q173-L175 VanDerWaalsContact C-N 3.3Å; L175-A177 PolarHBondContact O-N 3.17Å; L175-F178 PolarHBondContact O-N 2.86Å; L175-F178 VanDerWaalsContact O-N 3.11Å; L175-L443 HydrophobicContact CD1-CD1 4.07Å; L175-H448 HydrophobicContact CD1-CB 4.25Å; L175-H448 HydrophobicContact CD2-CB 4.49Å; L175-L449 HydrophobicContact CD1-CD2 4.36Å; L175-L449 HydrophobicContact CG-CD2 4.4Å; L175-L500 HydrophobicContact CB-CD1 4.45Å; L175-L500 HydrophobicContact CD1-CD1 3.45Å; L175-L500 VanDerWaalsContact CD1-CD1 3.45Å; L175-L500 HydrophobicContact CD1-CG 4.36Å
176	F	95.5	Very high	91.3	Very high	3 Å²	3	41 Å²	41	1%	0.013	20%	0.196	C	C	.	.	H	α-helix	trans	-54.6	-34.2	-170.5	178.9	-116.4	0	0	0	114.3	L39 E42 F73 F178 E179 Y180 L495	L39-F176 HydrophobicContact CB-CE1 4.18Å; L39-F176 HydrophobicContact CB-CZ 3.79Å; L39-F176 HydrophobicContact CD1-CE1 3.87Å; L39-F176 HydrophobicContact CD1-CZ 4.31Å; E42-F176 HydrophobicContact CB-CE2 3.76Å; E42-F176 HydrophobicContact CB-CZ 3.93Å; E42-F176 HydrophobicContact CG-CE2 4.31Å; F73-F176 HydrophobicContact CB-CB 4.03Å; F73-F176 HydrophobicContact CB-CD1 3.87Å; F73-F176 HydrophobicContact CB-CD2 3.69Å; F73-F176 HydrophobicContact CB-CE1 4.25Å; F73-F176 HydrophobicContact CB-CE2 4.1Å; F73-F176 HydrophobicContact CB-CG 3.56Å; F73-F176 HydrophobicContact CB-CZ 4.37Å; F73-F176 HydrophobicContact CD1-CD1 4.08Å; F73-F176 HydrophobicContact CD1-CE1 4.04Å; F73-F176 HydrophobicContact CD2-CB 3.58Å; F73-F176 AromaticContact CD2-CD1 3.19Å; F73-F176 HydrophobicContact CD2-CD1 3.19Å; F73-F176 HydrophobicContact CD2-CD2 4.45Å; F73-F176 AromaticContact CD2-CE1 3.99Å; F73-F176 HydrophobicContact CD2-CE1 3.99Å; F73-F176 AromaticContact CD2-CG 3.48Å; F73-F176 HydrophobicContact CD2-CG 3.48Å; F73-F176 VanDerWaalsContact CD2-CG 3.48Å; F73-F176 HydrophobicContact CE1-CD1 4.46Å; F73-F176 HydrophobicContact CE1-CE1 4.39Å; F73-F176 HydrophobicContact CE2-CB 4.46Å; F73-F176 AromaticContact CE2-CD1 3.66Å; F73-F176 HydrophobicContact CE2-CD1 3.66Å; F73-F176 HydrophobicContact CE2-CE1 4.34Å; F73-F176 HydrophobicContact CE2-CG 4.34Å; F73-F176 HydrophobicContact CG-CB 4.15Å; F73-F176 AromaticContact CG-CD1 3.44Å; F73-F176 HydrophobicContact CG-CD1 3.44Å; F73-F176 VanDerWaalsContact CG-CD1 3.44Å; F73-F176 HydrophobicContact CG-CD2 4.22Å; F73-F176 AromaticContact CG-CE1 3.83Å; F73-F176 HydrophobicContact CG-CE1 3.83Å; F73-F176 AromaticContact CG-CG 3.65Å; F73-F176 HydrophobicContact CG-CG 3.65Å; F73-F176 HydrophobicContact CG-CZ 4.39Å; F73-F176 HydrophobicContact CZ-CD1 4.27Å; F176-F178 PolarHBondContact O-N 3.01Å; F176-F178 VanDerWaalsContact O-N 3.1Å; F176-E179 PolarHBondContact O-N 3.17Å; F176-E179 VanDerWaalsContact O-N 3.12Å; F176-Y180 AromaticContact CE1-CD2 3.9Å; F176-Y180 HydrophobicContact CE1-CD2 3.9Å; F176-Y180 HydrophobicContact CE1-CG 4.33Å; F176-Y180 AromaticContact CZ-CD2 3.93Å; F176-Y180 HydrophobicContact CZ-CD2 3.93Å; F176-Y180 HydrophobicContact CZ-CG 4.48Å; F176-Y180 WeakPolarHBondContact O-CB 3.31Å; F176-Y180 PolarHBondContact O-N 2.96Å; F176-L495 HydrophobicContact CD1-CD1 3.96Å; F176-L495 HydrophobicContact CE1-CD1 3.88Å
177	A	95.8	Very high	90.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-46.9	-40.4	176.8	0	0	0	0	0	113.9	L175 V181 S494 L500 F530	L175-A177 PolarHBondContact O-N 3.17Å; A177-V181 WeakPolarHBondContact O-CB 3.15Å; A177-V181 VanDerWaalsContact O-CG2 3.25Å; A177-V181 WeakPolarHBondContact O-CG2 3.26Å; A177-V181 PolarHBondContact O-N 3.03Å; A177-S494 WeakPolarHBondContact CA-O 3.23Å; A177-S494 VanDerWaalsContact CB-O 3.25Å; A177-S494 WeakPolarHBondContact CB-O 3.19Å; A177-S494 PolarHBondContact N-O 3.16Å; A177-L500 HydrophobicContact CB-CD2 3.44Å; A177-L500 VanDerWaalsContact CB-CD2 3.44Å; A177-F530 HydrophobicContact CB-CD1 3.92Å; A177-F530 HydrophobicContact CB-CE1 3.94Å
178	F	95.6	Very high	88.8	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-69.2	-45	-178.3	-77.4	-91.7	0	0	0	112.2	L172 Q173 L175 F176 V181 G182 L500 F501 Q510 F514 L528 F530	L172-F178 HydrophobicContact CD2-CE2 4.44Å; L172-F178 HydrophobicContact CD2-CZ 4.35Å; L172-F178 HydrophobicContact CG-CE2 3.9Å; L172-F178 HydrophobicContact CG-CZ 4.24Å; L172-F178 WeakPolarHBondContact O-CD2 3.38Å; L172-F178 WeakPolarHBondContact O-CE2 3.44Å; Q173-F178 HydrophobicContact CB-CD1 4.48Å; Q173-F178 HydrophobicContact CB-CG 4.43Å; Q173-F178 HydrophobicContact CG-CD1 4.29Å; Q173-F178 HydrophobicContact CG-CE1 4.05Å; Q173-F178 HydrophobicContact CG-CZ 4.24Å; L175-F178 PolarHBondContact O-N 2.86Å; L175-F178 VanDerWaalsContact O-N 3.11Å; F176-F178 PolarHBondContact O-N 3.01Å; F176-F178 VanDerWaalsContact O-N 3.1Å; F178-V181 PolarHBondContact O-N 2.94Å; F178-G182 PolarHBondContact O-N 3.12Å; F178-L500 HydrophobicContact CE2-CD2 4.41Å; F178-F501 HydrophobicContact CE2-CE1 4.38Å; F178-F501 HydrophobicContact CE2-CZ 4.44Å; F178-F501 AromaticContact CZ-CE1 3.99Å; F178-F501 HydrophobicContact CZ-CE1 3.99Å; F178-F501 HydrophobicContact CZ-CZ 4.17Å; F178-Q510 HydrophobicContact CZ-CB 4.13Å; F178-F514 HydrophobicContact CB-CD2 4.04Å; F178-F514 HydrophobicContact CB-CE1 4.31Å; F178-F514 HydrophobicContact CB-CE2 3.7Å; F178-F514 HydrophobicContact CB-CG 4.47Å; F178-F514 HydrophobicContact CB-CZ 3.82Å; F178-F514 HydrophobicContact CD1-CB 3.72Å; F178-F514 HydrophobicContact CD1-CD1 4Å; F178-F514 AromaticContact CD1-CD2 3.66Å; F178-F514 HydrophobicContact CD1-CD2 3.66Å; F178-F514 HydrophobicContact CD1-CE1 4.49Å; F178-F514 HydrophobicContact CD1-CE2 4.2Å; F178-F514 AromaticContact CD1-CG 3.52Å; F178-F514 HydrophobicContact CD1-CG 3.52Å; F178-F514 HydrophobicContact CE1-CB 3.9Å; F178-F514 HydrophobicContact CE1-CG 4.22Å; F178-F514 HydrophobicContact CG-CD2 4.19Å; F178-F514 HydrophobicContact CG-CE2 4.35Å; F178-F514 HydrophobicContact CG-CG 4.42Å; F178-F514 WeakPolarHBondContact O-CE1 3.29Å; F178-F514 WeakPolarHBondContact O-CZ 2.86Å; F178-L528 HydrophobicContact CD1-CD1 4.4Å; F178-F530 HydrophobicContact CD1-CE1 4.32Å; F178-F530 AromaticContact CD1-CZ 3.94Å; F178-F530 HydrophobicContact CD1-CZ 3.94Å; F178-F530 HydrophobicContact CD2-CE1 4.33Å; F178-F530 HydrophobicContact CE1-CE1 4.43Å; F178-F530 AromaticContact CE1-CZ 3.72Å; F178-F530 HydrophobicContact CE1-CZ 3.72Å; F178-F530 HydrophobicContact CE2-CE1 4.4Å; F178-F530 HydrophobicContact CE2-CZ 4.29Å; F178-F530 HydrophobicContact CG-CE1 4.3Å; F178-F530 HydrophobicContact CG-CZ 4.35Å; F178-F530 HydrophobicContact CZ-CE1 4.47Å; F178-F530 AromaticContact CZ-CZ 3.91Å; F178-F530 HydrophobicContact CZ-CZ 3.91Å
179	E	93.8	Very high	87	Confident	57 Å²	57	46.3 Å²	46.3	27%	0.266	25%	0.246	S	C	.	.	H	α-helix	trans	-67.8	-39.6	177.8	-167.2	61	-153.1	0	0	111.1	G41 F176 V181 G182 K183	G41-E179 WeakPolarHBondContact O-CG 3.33Å; F176-E179 PolarHBondContact O-N 3.17Å; F176-E179 VanDerWaalsContact O-N 3.12Å; E179-V181 PolarHBondContact O-N 3.26Å; E179-G182 PolarHBondContact O-N 2.67Å; E179-K183 WeakPolarHBondContact O-CG 3.36Å; E179-K183 PolarHBondContact O-N 3.33Å; E179-K183 WeakPolarHBondContact OE1-CE 3.46Å
180	Y	94	Very high	84.9	Confident	27 Å²	27	50 Å²	50	11%	0.106	27%	0.273	C	S	.	.	H	α-helix	trans	-58.2	-49.1	175.1	-178.9	-90.2	0	0	0	112	L39 P40 F176 K184 L495 P531	L39-Y180 HydrophobicContact CB-CD2 4.41Å; L39-Y180 HydrophobicContact CB-CE2 4.4Å; P40-Y180 HydrophobicContact CB-CD2 4.32Å; P40-Y180 HydrophobicContact CB-CE2 4.33Å; P40-Y180 HydrophobicContact CG-CE2 4.19Å; P40-Y180 WeakPolarHBondContact O-CA 3.3Å; P40-Y180 WeakPolarHBondContact O-CD2 3.48Å; F176-Y180 AromaticContact CE1-CD2 3.9Å; F176-Y180 HydrophobicContact CE1-CD2 3.9Å; F176-Y180 HydrophobicContact CE1-CG 4.33Å; F176-Y180 AromaticContact CZ-CD2 3.93Å; F176-Y180 HydrophobicContact CZ-CD2 3.93Å; F176-Y180 HydrophobicContact CZ-CG 4.48Å; F176-Y180 WeakPolarHBondContact O-CB 3.31Å; F176-Y180 PolarHBondContact O-N 2.96Å; Y180-K184 PolarHBondContact O-N 3Å; Y180-L495 HydrophobicContact CD1-CD1 3.56Å; Y180-L495 HydrophobicContact CD2-CD1 3.72Å; Y180-L495 HydrophobicContact CE1-CD1 4.05Å; Y180-L495 HydrophobicContact CE2-CD1 4.16Å; Y180-L495 HydrophobicContact CG-CD1 3.39Å; Y180-P531 HydrophobicContact CD1-CG 4.22Å; Y180-P531 HydrophobicContact CE1-CG 3.82Å
181	V	92.6	Very high	82.8	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-70.9	-43.4	179.3	176.8	0	0	0	0	111	A177 F178 E179 K183 K184 Y185 L528 F530	A177-V181 WeakPolarHBondContact O-CB 3.15Å; A177-V181 VanDerWaalsContact O-CG2 3.25Å; A177-V181 WeakPolarHBondContact O-CG2 3.26Å; A177-V181 PolarHBondContact O-N 3.03Å; F178-V181 PolarHBondContact O-N 2.94Å; E179-V181 PolarHBondContact O-N 3.26Å; V181-K183 VanDerWaalsContact C-N 3.33Å; V181-K183 PolarHBondContact O-N 3.39Å; V181-K184 WeakPolarHBondContact O-CA 3.48Å; V181-K184 VanDerWaalsContact O-CB 3.3Å; V181-K184 WeakPolarHBondContact O-CB 3.46Å; V181-K184 PolarHBondContact O-N 2.85Å; V181-Y185 HydrophobicContact CG1-CD2 3.75Å; V181-Y185 HydrophobicContact CG1-CE2 3.56Å; V181-Y185 WeakPolarHBondContact O-CD2 3.23Å; V181-Y185 PolarHBondContact O-N 2.83Å; V181-L528 HydrophobicContact CG1-CB 3.97Å; V181-L528 HydrophobicContact CG1-CD2 4.27Å; V181-F530 HydrophobicContact CG2-CD1 3.78Å; V181-F530 HydrophobicContact CG2-CE1 4.2Å; V181-F530 HydrophobicContact CG2-CG 4.34Å
182	G	90.1	Very high	80.4	Confident	3 Å²	3	57.5 Å²	57.5	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-55.6	-45.5	179	0	0	0	0	0	112.6	F178 E179 K184 Y185 H186	F178-G182 PolarHBondContact O-N 3.12Å; E179-G182 PolarHBondContact O-N 2.67Å; G182-K184 VanDerWaalsContact C-N 3.28Å; G182-K184 PolarHBondContact O-N 2.95Å; G182-Y185 PolarHBondContact O-N 3.04Å; G182-H186 PolarHBondContact O-CD2 3.4Å; G182-H186 PolarHBondContact O-N 2.85Å; G182-H186 VanDerWaalsContact O-N 3.13Å
183	K	88.4	Confident	77.9	Confident	88 Å²	88	65.1 Å²	65.1	38%	0.383	35%	0.346	S	S	.	.	H	α-helix	trans	-60.2	-36.3	175	-74.8	-68.8	-175.6	-179.8	0	113.1	E179 V181 H186 N187	E179-K183 WeakPolarHBondContact O-CG 3.36Å; E179-K183 PolarHBondContact O-N 3.33Å; E179-K183 WeakPolarHBondContact OE1-CE 3.46Å; V181-K183 VanDerWaalsContact C-N 3.33Å; V181-K183 PolarHBondContact O-N 3.39Å; K183-H186 PolarHBondContact O-N 2.92Å; K183-N187 WeakPolarHBondContact O-CB 3.18Å; K183-N187 PolarHBondContact O-N 2.77Å
184	K	85	Confident	75.3	Confident	97 Å²	97	66.8 Å²	66.8	42%	0.422	37%	0.374	S	S	.	.	H	α-helix	trans	-63.7	-43.1	177.8	-168.1	173.9	-178.7	168.7	0	111.8	Y180 V181 G182 N187 S188 W203	Y180-K184 PolarHBondContact O-N 3Å; V181-K184 WeakPolarHBondContact O-CA 3.48Å; V181-K184 VanDerWaalsContact O-CB 3.3Å; V181-K184 WeakPolarHBondContact O-CB 3.46Å; V181-K184 PolarHBondContact O-N 2.85Å; G182-K184 VanDerWaalsContact C-N 3.28Å; G182-K184 PolarHBondContact O-N 2.95Å; K184-N187 PolarHBondContact O-N 2.82Å; K184-S188 PolarHBondContact O-N 2.97Å; K184-S188 VanDerWaalsContact O-N 3.07Å; K184-S188 PolarHBondContact O-OG 3.42Å; K184-S188 VanDerWaalsContact O-OG 3.14Å; K184-W203 VanDerWaalsContact NZ-NE1 3.19Å
185	Y	83.8	Confident	72.4	Confident	47 Å²	47	67.6 Å²	67.6	18%	0.184	38%	0.383	C	S	.	.	H	α-helix	trans	-66.6	-39.6	177.3	-82.6	-94.4	0	0	0	112.6	V181 G182 S188 A189 I520 L522 L528 K529	V181-Y185 HydrophobicContact CG1-CD2 3.75Å; V181-Y185 HydrophobicContact CG1-CE2 3.56Å; V181-Y185 WeakPolarHBondContact O-CD2 3.23Å; V181-Y185 PolarHBondContact O-N 2.83Å; G182-Y185 PolarHBondContact O-N 3.04Å; Y185-S188 WeakPolarHBondContact CA-OG 3.45Å; Y185-S188 PolarHBondContact O-N 3.1Å; Y185-S188 PolarHBondContact O-OG 2.9Å; Y185-A189 PolarHBondContact O-N 2.96Å; Y185-I520 HydrophobicContact CD1-CG2 3.72Å; Y185-I520 HydrophobicContact CE1-CG2 4.47Å; Y185-I520 HydrophobicContact CG-CG2 3.8Å; Y185-L522 HydrophobicContact CE1-CD2 4.35Å; Y185-L528 HydrophobicContact CD2-CD2 3.99Å; Y185-L528 HydrophobicContact CE2-CD2 3.85Å; Y185-K529 PolarHBondContact OH-N 3.35Å; Y185-K529 VanDerWaalsContact OH-N 3.14Å
186	H	81.6	Confident	69.3	Low	87 Å²	87	73.2 Å²	73.2	40%	0.403	42%	0.424	S	S	.	.	H	α-helix	trans	-67.6	-39.9	174.7	-71	-61.7	0	0	0	112.7	G182 K183 S188 A189 S190 K518	G182-H186 PolarHBondContact O-CD2 3.4Å; G182-H186 PolarHBondContact O-N 2.85Å; G182-H186 VanDerWaalsContact O-N 3.13Å; K183-H186 PolarHBondContact O-N 2.92Å; H186-S188 VanDerWaalsContact C-N 3.34Å; H186-S188 PolarHBondContact O-N 2.86Å; H186-A189 PolarHBondContact O-N 2.81Å; H186-S190 PolarHBondContact O-N 2.86Å; H186-K518 PolarHBondContact CE1-O 3.09Å
187	N	73.3	Confident	66.3	Low	95 Å²	95	78.3 Å²	78.3	51%	0.508	46%	0.46	S	S	.	.	H	α-helix	trans	-66.3	-35.1	178	-72.4	-8.4	0	0	0	112	K183 K184 A189 S190	K183-N187 WeakPolarHBondContact O-CB 3.18Å; K183-N187 PolarHBondContact O-N 2.77Å; K184-N187 PolarHBondContact O-N 2.82Å; N187-A189 VanDerWaalsContact C-N 3.32Å; N187-A189 PolarHBondContact O-N 2.99Å; N187-S190 PolarHBondContact O-N 3.3Å; N187-S190 PolarHBondContact O-OG 2.88Å
188	S	59.8	Low	63	Low	79 Å²	79	81.9 Å²	81.9	55%	0.552	50%	0.496	S	S	*	.	H	α-helix	trans	-65.1	-32.7	172.7	44.3	0	0	0	0	113.3	K184 Y185 H186	K184-S188 PolarHBondContact O-N 2.97Å; K184-S188 VanDerWaalsContact O-N 3.07Å; K184-S188 PolarHBondContact O-OG 3.42Å; K184-S188 VanDerWaalsContact O-OG 3.14Å; Y185-S188 WeakPolarHBondContact CA-OG 3.45Å; Y185-S188 PolarHBondContact O-N 3.1Å; Y185-S188 PolarHBondContact O-OG 2.9Å; H186-S188 VanDerWaalsContact C-N 3.34Å; H186-S188 PolarHBondContact O-N 2.86Å
189	A	53.3	Low	59.8	Low	66 Å²	66	85.3 Å²	85.3	55%	0.545	53%	0.531	S	S	.	.	H	α-helix	trans	-73.7	-26.1	176.7	0	0	0	0	0	113.1	Y185 H186 N187 K191	Y185-A189 PolarHBondContact O-N 2.96Å; H186-A189 PolarHBondContact O-N 2.81Å; N187-A189 VanDerWaalsContact C-N 3.32Å; N187-A189 PolarHBondContact O-N 2.99Å; A189-K191 PolarHBondContact O-N 3.01Å
190	S	44.6	Very low	56.8	Low	92 Å²	92	85.9 Å²	85.9	64%	0.643	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-8.1	179.6	70.5	0	0	0	0	115.2	H186 N187 V192	H186-S190 PolarHBondContact O-N 2.86Å; N187-S190 PolarHBondContact O-N 3.3Å; N187-S190 PolarHBondContact O-OG 2.88Å; S190-V192 VanDerWaalsContact C-N 3.31Å; S190-V192 PolarHBondContact O-N 2.81Å
191	K	44.8	Very low	53.6	Low	185 Å²	185	88.3 Å²	88.3	80%	0.804	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	22	175.8	-75.2	-168.3	176.3	-174.6	0	114.1	A189 N193	A189-K191 PolarHBondContact O-N 3.01Å; K191-N193 PolarHBondContact O-N 3.35Å
192	V	41.3	Very low	50.7	Low	117 Å²	117	92.9 Å²	92.9	71%	0.709	61%	0.614	S	S	*	*			trans	-96.4	77.3	173.2	-174.6	0	0	0	0	109.4	S190	S190-V192 VanDerWaalsContact C-N 3.31Å; S190-V192 PolarHBondContact O-N 2.81Å
193	N	38.8	Very low	48.3	Very low	167 Å²	167	97.6 Å²	97.6	89%	0.893	63%	0.63	S	S	*	*	S	Bend	trans	-150.7	86.6	154.9	-94.1	-19.4	0	0	0	108.2	K191	K191-N193 PolarHBondContact O-N 3.35Å
194	G	40.4	Very low	45.6	Very low	77 Å²	77	97.1 Å²	97.1	79%	0.794	64%	0.639	S	S	*	*	S	Bend	trans	80.4	36.7	148.2	0	0	0	0	0	119.7
195	V	32.1	Very low	43	Very low	123 Å²	123	96.4 Å²	96.4	75%	0.745	66%	0.658	S	S	*	*			trans	-147.5	120	149.2	-176	0	0	0	0	108.4	S197	V195-S197 PolarHBondContact O-N 3.22Å
196	S	30	Very low	40.5	Very low	126 Å²	126	99.2 Å²	99.2	88%	0.881	69%	0.691	S	S	*	*			trans	-60.3	96.7	170.6	-56.7	0	0	0	0	109.7	G198	S196-G198 PolarHBondContact O-N 3.37Å
197	S	32.5	Very low	37.9	Very low	110 Å²	110	98.2 Å²	98.2	77%	0.769	71%	0.705	S	S	*	*			trans	-81.9	102.4	162.4	-65.2	0	0	0	0	107.1	V195	V195-S197 PolarHBondContact O-N 3.22Å
198	G	27.4	Very low	35.8	Very low	75 Å²	75	97.2 Å²	97.2	77%	0.773	71%	0.705	S	S	*	*			trans	-57.9	140.5	168.6	0	0	0	0	0	110.8	S196	S196-G198 PolarHBondContact O-N 3.37Å
199	G	27.7	Very low	34.2	Very low	71 Å²	71	96.1 Å²	96.1	73%	0.732	71%	0.707	S	S	*	*	S	Bend	trans	82.2	114.1	166.8	0	0	0	0	0	114.1	G201	G199-G201 PolarHBondContact O-N 3.06Å
200	G	30.5	Very low	33.1	Very low	70 Å²	70	99.3 Å²	99.3	72%	0.722	73%	0.725	S	S	*	*			trans	-46.2	130	163.5	0	0	0	0	0	109.9	V202	G200-V202 VanDerWaalsContact O-CG2 3.29Å; G200-V202 WeakPolarHBondContact O-CG2 3.33Å; G200-V202 PolarHBondContact O-N 3Å
201	G	26.5	Very low	32.9	Very low	77 Å²	77	99.6 Å²	99.6	79%	0.794	73%	0.727	S	S	*	*			trans	-60.4	84.9	172.1	0	0	0	0	0	109.3	G199 W203	G199-G201 PolarHBondContact O-N 3.06Å; G201-W203 PolarHBondContact O-N 2.7Å
202	V	33.3	Very low	33.4	Very low	99 Å²	99	97.8 Å²	97.8	60%	0.6	72%	0.721	S	S	*	*			trans	-49.8	134	166.4	-165.1	0	0	0	0	106.2	G200 S204	G200-V202 VanDerWaalsContact O-CG2 3.29Å; G200-V202 WeakPolarHBondContact O-CG2 3.33Å; G200-V202 PolarHBondContact O-N 3Å; V202-S204 WeakPolarHBondContact CG1-OG 3.47Å; V202-S204 PolarHBondContact O-N 3.18Å
203	W	39.3	Very low	35.3	Very low	101 Å²	101	100.9 Å²	100.9	38%	0.383	72%	0.72	S	S	.	*	S	Bend	trans	-69.9	58.5	158.2	-66.8	12.2	0	0	0	108.9	K184 G201 P531	K184-W203 VanDerWaalsContact NZ-NE1 3.19Å; G201-W203 PolarHBondContact O-N 2.7Å; W203-P531 VanDerWaalsContact CH2-CA 3.48Å; W203-P531 HydrophobicContact CH2-CB 4.29Å; W203-P531 HydrophobicContact CH2-CG 4.32Å
204	S	31.7	Very low	37.7	Very low	79 Å²	79	93.7 Å²	93.7	55%	0.552	68%	0.683	S	S	*	*			trans	-100.5	95.4	162.7	-74.2	0	0	0	0	104.3	V202 A206	V202-S204 WeakPolarHBondContact CG1-OG 3.47Å; V202-S204 PolarHBondContact O-N 3.18Å; S204-A206 PolarHBondContact O-N 2.93Å
205	G	31.1	Very low	40.2	Very low	81 Å²	81	91.8 Å²	91.8	84%	0.835	66%	0.656	S	S	*	*			trans	-59.8	89.2	156.6	0	0	0	0	0	107.6	G207	G205-G207 VanDerWaalsContact C-N 3.33Å; G205-G207 PolarHBondContact O-N 2.8Å; G205-G207 VanDerWaalsContact O-N 3.09Å
206	A	31	Very low	43.1	Very low	106 Å²	106	88.4 Å²	88.4	88%	0.876	63%	0.633	S	S	*	*			trans	-69.9	98.4	162.1	0	0	0	0	0	106.1	S204	S204-A206 PolarHBondContact O-N 2.93Å
207	G	26.1	Very low	46.3	Very low	67 Å²	67	82.5 Å²	82.5	69%	0.691	59%	0.592	S	S	*	*			trans	-179.5	74.5	-177.2	0	0	0	0	0	110.9	G205	G205-G207 VanDerWaalsContact C-N 3.33Å; G205-G207 PolarHBondContact O-N 2.8Å; G205-G207 VanDerWaalsContact O-N 3.09Å
208	S	29.5	Very low	49.1	Very low	73 Å²	73	80.6 Å²	80.6	51%	0.51	57%	0.571	S	S	.	*	S	Bend	trans	88.8	111.1	164.2	-149.4	0	0	0	0	118.7	Q709	S208-Q709 PolarHBondContact OG-NE2 3.28Å; S208-Q709 PolarHBondContact OG-OE1 3.22Å
209	G	26.4	Very low	52.3	Low	57 Å²	57	79.9 Å²	79.9	59%	0.588	55%	0.552	S	S	*	*	S	Bend	trans	57.6	108.3	147.6	0	0	0	0	0	119.1	S211	G209-S211 PolarHBondContact O-N 3.11Å
210	S	29.6	Very low	55.6	Low	132 Å²	132	81.8 Å²	81.8	92%	0.923	54%	0.537	S	S	*	.			trans	14.7	36.7	155	85.5	0	0	0	0	121	Q212	S210-Q212 PolarHBondContact O-N 2.83Å
211	S	41	Very low	58.7	Low	99 Å²	99	80.8 Å²	80.8	69%	0.692	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-84.8	117.8	176.8	-169.4	0	0	0	0	107.8	G209 R213	G209-S211 PolarHBondContact O-N 3.11Å; S211-R213 PolarHBondContact O-N 2.91Å; S211-R213 VanDerWaalsContact O-N 3.09Å
212	Q	55.9	Low	62	Low	146 Å²	146	78 Å²	78	68%	0.682	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-54.9	116.8	-177.9	-70.5	-177.8	-11.7	0	0	110.1	S210 T425	S210-Q212 PolarHBondContact O-N 2.83Å; Q212-T425 HydrophobicContact CB-CG2 4.27Å; Q212-T425 VanDerWaalsContact O-CG2 3.31Å; Q212-T425 WeakPolarHBondContact O-CG2 3.5Å
213	R	81.2	Confident	65.1	Low	182 Å²	182	73.3 Å²	73.3	69%	0.687	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-62.4	134.6	174.4	-172.9	178.6	-177.8	-176.4	1.3	109.5	S211 P215	S211-R213 PolarHBondContact O-N 2.91Å; S211-R213 VanDerWaalsContact O-N 3.09Å; R213-P215 WeakPolarHBondContact O-CD 3.43Å
214	T	88.7	Confident	67.8	Low	17 Å²	17	70.5 Å²	70.5	10%	0.104	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-59.4	122.4	-179.9	-56.8	0	0	0	0	111.4	L216 Q428 W534	T214-L216 PolarHBondContact O-N 3.38Å; T214-Q428 HydrophobicContact CG2-CB 3.48Å; T214-Q428 VanDerWaalsContact CG2-CB 3.48Å; T214-Q428 PolarHBondContact OG1-OE1 3.18Å; T214-W534 HydrophobicContact CG2-CD2 4.47Å; T214-W534 HydrophobicContact CG2-CG 4.06Å
215	P	92.6	Very high	70.9	Confident	36 Å²	36	72.8 Å²	72.8	23%	0.234	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-62.5	130.7	175	-20.7	32.1	0	0	0	111.2	R213 F217 Q432	R213-P215 WeakPolarHBondContact O-CD 3.43Å; P215-F217 HydrophobicContact CB-CD2 4.17Å; P215-F217 HydrophobicContact CB-CE2 3.83Å; P215-F217 HydrophobicContact CB-CZ 4.22Å; P215-Q432 WeakPolarHBondContact O-CG 3.45Å
216	L	93.6	Very high	74	Confident	52 Å²	52	69.4 Å²	69.4	27%	0.272	41%	0.409	S	S	.	.			trans	-88.6	-14.6	-179.7	-62.9	-176.9	0	0	0	113.8	T214 E218 Q432 M437	T214-L216 PolarHBondContact O-N 3.38Å; L216-E218 HydrophobicContact CB-CG 4.06Å; L216-E218 PolarHBondContact O-N 2.96Å; L216-Q432 HydrophobicContact CD2-CG 4.41Å; L216-Q432 WeakPolarHBondContact O-CG 3.47Å; L216-Q432 PolarHBondContact O-NE2 2.75Å; L216-Q432 VanDerWaalsContact O-NE2 3.1Å; L216-M437 WeakPolarHBondContact O-CG 3.34Å
217	F	95.8	Very high	77.1	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.009	37%	0.372	C	S	.	.	S	Bend	trans	60.1	27.5	-178.8	-67.2	-84.2	0	0	0	114.1	P215 D222 W223 E226 S429 Q432 K433 M437	P215-F217 HydrophobicContact CB-CD2 4.17Å; P215-F217 HydrophobicContact CB-CE2 3.83Å; P215-F217 HydrophobicContact CB-CZ 4.22Å; F217-D222 HydrophobicContact CD1-CB 4.15Å; F217-D222 HydrophobicContact CG-CB 4.45Å; F217-D222 PolarHBondContact N-OD2 2.76Å; F217-W223 HydrophobicContact CB-CZ2 4.02Å; F217-W223 AromaticContact CD1-CD2 3.9Å; F217-W223 HydrophobicContact CD1-CD2 3.9Å; F217-W223 AromaticContact CD1-CE2 3.99Å; F217-W223 HydrophobicContact CD1-CE3 4.11Å; F217-W223 HydrophobicContact CD1-CG 4.31Å; F217-W223 HydrophobicContact CD1-CZ2 4.33Å; F217-W223 HydrophobicContact CD1-CZ3 4.45Å; F217-W223 PolarHBondContact O-NE1 3.29Å; F217-E226 HydrophobicContact CE1-CB 3.73Å; F217-E226 HydrophobicContact CE1-CG 3.96Å; F217-E226 HydrophobicContact CZ-CB 4.22Å; F217-E226 HydrophobicContact CZ-CG 4.19Å; F217-S429 WeakPolarHBondContact CE2-O 3.25Å; F217-Q432 HydrophobicContact CD2-CB 4.44Å; F217-Q432 HydrophobicContact CD2-CG 4.23Å; F217-K433 HydrophobicContact CD1-CD 4.48Å; F217-K433 HydrophobicContact CD1-CG 4.27Å; F217-K433 HydrophobicContact CD2-CB 3.82Å; F217-K433 HydrophobicContact CD2-CG 4.44Å; F217-K433 HydrophobicContact CE1-CB 4.44Å; F217-K433 HydrophobicContact CE1-CD 3.95Å; F217-K433 HydrophobicContact CE1-CG 4.2Å; F217-K433 HydrophobicContact CE2-CB 3.73Å; F217-K433 HydrophobicContact CE2-CG 4.37Å; F217-K433 HydrophobicContact CG-CB 4.22Å; F217-K433 HydrophobicContact CG-CG 4.39Å; F217-K433 HydrophobicContact CZ-CB 4.06Å; F217-K433 HydrophobicContact CZ-CD 3.97Å; F217-K433 HydrophobicContact CZ-CG 4.25Å; F217-M437 HydrophobicContact CB-CB 4.37Å; F217-M437 HydrophobicContact CB-CG 3.65Å; F217-M437 WeakPolarHBondContact O-CE 3.26Å
218	E	92.8	Very high	80.5	Confident	70 Å²	70	68.6 Å²	68.6	33%	0.327	37%	0.368	S	S	.	.			trans	-92.7	-16.3	179.3	-63	-175.4	154.5	0	0	112.3	L216 D222 Y253 M437 R507	L216-E218 HydrophobicContact CB-CG 4.06Å; L216-E218 PolarHBondContact O-N 2.96Å; E218-D222 PolarHBondContact N-OD2 3.09Å; E218-Y253 WeakPolarHBondContact O-CD2 3.4Å; E218-Y253 WeakPolarHBondContact O-CE2 3.47Å; E218-M437 HydrophobicContact CG-CE 4.02Å; E218-M437 HydrophobicContact CG-SD 3.99Å; E218-R507 IonicContact OE1-CZ 3.55Å; E218-R507 IonicContact OE1-NH1 3.63Å; E218-R507 PolarHBondContact OE1-NH1 2.7Å; E218-R507 IonicContact OE1-NH2 2.84Å; E218-R507 PolarHBondContact OE1-NH2 3.06Å
219	T	94.4	Very high	83.7	Confident	61 Å²	61	69.1 Å²	69.1	37%	0.374	36%	0.358	S	S	.	.	S	Bend	trans	-116	153.5	-177.6	72.6	0	0	0	0	111.7	S221 D222	T219-S221 PolarHBondContact O-N 2.99Å; T219-S221 VanDerWaalsContact O-N 3.16Å; T219-S221 PolarHBondContact OG1-OG 3.43Å; T219-D222 PolarHBondContact N-OD2 3.45Å; T219-D222 WeakPolarHBondContact O-CB 3.45Å; T219-D222 PolarHBondContact O-N 3.28Å; T219-D222 VanDerWaalsContact O-N 3.09Å; T219-D222 PolarHBondContact OG1-N 2.75Å; T219-D222 PolarHBondContact OG1-OD1 2.68Å; T219-D222 PolarHBondContact OG1-OD2 3.2Å
220	Y	96.4	Very high	86.9	Confident	110 Å²	110	67.2 Å²	67.2	43%	0.431	34%	0.335	S	S	.	.	H	α-helix	trans	-47.9	-42.9	170.2	-177.4	-78.6	0	0	0	112.2	D222 W223 D224 V237 Y253	Y220-D222 VanDerWaalsContact C-N 3.28Å; Y220-D222 PolarHBondContact O-N 3.06Å; Y220-W223 PolarHBondContact O-N 3.08Å; Y220-D224 HydrophobicContact CD1-CB 4.36Å; Y220-D224 HydrophobicContact CE1-CB 4.11Å; Y220-D224 PolarHBondContact O-N 3.19Å; Y220-V237 HydrophobicContact CD2-CB 3.85Å; Y220-V237 HydrophobicContact CD2-CG1 3.4Å; Y220-V237 VanDerWaalsContact CD2-CG1 3.4Å; Y220-V237 HydrophobicContact CE1-CB 4.24Å; Y220-V237 HydrophobicContact CE1-CG2 4.35Å; Y220-V237 HydrophobicContact CE2-CB 3.44Å; Y220-V237 VanDerWaalsContact CE2-CB 3.44Å; Y220-V237 HydrophobicContact CE2-CG1 3.57Å; Y220-V237 HydrophobicContact CE2-CG2 4.4Å; Y220-V237 HydrophobicContact CG-CB 4.4Å; Y220-V237 HydrophobicContact CG-CG1 3.92Å; Y220-Y253 HydrophobicContact CD2-CD1 4.39Å
221	S	96.6	Very high	90	Very high	50 Å²	50	63.7 Å²	63.7	35%	0.35	32%	0.32	S	S	.	.	H	α-helix	trans	-64.2	-30.8	-176.2	79.4	0	0	0	0	113.4	T219 R225	T219-S221 PolarHBondContact O-N 2.99Å; T219-S221 VanDerWaalsContact O-N 3.16Å; T219-S221 PolarHBondContact OG1-OG 3.43Å; S221-R225 WeakPolarHBondContact O-CB 3.48Å; S221-R225 WeakPolarHBondContact O-CG 3.46Å; S221-R225 PolarHBondContact O-N 2.78Å; S221-R225 PolarHBondContact O-NH1 2.96Å; S221-R225 VanDerWaalsContact O-NH1 3.16Å; S221-R225 PolarHBondContact OG-NH1 3Å
222	D	95.9	Very high	92.5	Very high	17 Å²	17	59.4 Å²	59.4	9%	0.091	29%	0.291	C	S	.	.	H	α-helix	trans	-66.9	-45.6	178.4	-60.8	-40.2	0	0	0	110.5	F217 E218 T219 Y220 R225 E226	F217-D222 HydrophobicContact CD1-CB 4.15Å; F217-D222 HydrophobicContact CG-CB 4.45Å; F217-D222 PolarHBondContact N-OD2 2.76Å; E218-D222 PolarHBondContact N-OD2 3.09Å; T219-D222 PolarHBondContact N-OD2 3.45Å; T219-D222 WeakPolarHBondContact O-CB 3.45Å; T219-D222 PolarHBondContact O-N 3.28Å; T219-D222 VanDerWaalsContact O-N 3.09Å; T219-D222 PolarHBondContact OG1-N 2.75Å; T219-D222 PolarHBondContact OG1-OD1 2.68Å; T219-D222 PolarHBondContact OG1-OD2 3.2Å; Y220-D222 VanDerWaalsContact C-N 3.28Å; Y220-D222 PolarHBondContact O-N 3.06Å; D222-R225 PolarHBondContact O-N 2.74Å; D222-R225 IonicContact OD1-CZ 2.95Å; D222-R225 IonicContact OD1-NH1 3.64Å; D222-R225 IonicContact OD1-NH2 2.6Å; D222-R225 PolarHBondContact OD1-NH2 3.08Å; D222-E226 PolarHBondContact O-N 2.91Å
223	W	97.3	Very high	94.1	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-66.6	-41.6	177.6	-67.2	96.6	0	0	0	112.2	F217 Y220 R225 E226 I227 V237 P251 Y253 V255 K433 M437	F217-W223 HydrophobicContact CB-CZ2 4.02Å; F217-W223 AromaticContact CD1-CD2 3.9Å; F217-W223 HydrophobicContact CD1-CD2 3.9Å; F217-W223 AromaticContact CD1-CE2 3.99Å; F217-W223 HydrophobicContact CD1-CE3 4.11Å; F217-W223 HydrophobicContact CD1-CG 4.31Å; F217-W223 HydrophobicContact CD1-CZ2 4.33Å; F217-W223 HydrophobicContact CD1-CZ3 4.45Å; F217-W223 PolarHBondContact O-NE1 3.29Å; Y220-W223 PolarHBondContact O-N 3.08Å; W223-R225 PolarHBondContact O-N 2.81Å; W223-E226 PolarHBondContact O-N 2.69Å; W223-I227 WeakPolarHBondContact O-CG1 3.32Å; W223-I227 PolarHBondContact O-N 3.34Å; W223-V237 HydrophobicContact CB-CB 4.5Å; W223-V237 HydrophobicContact CB-CG1 3.92Å; W223-V237 HydrophobicContact CB-CG2 3.76Å; W223-P251 HydrophobicContact CZ2-CG 4.16Å; W223-Y253 WeakPolarHBondContact CZ2-O 3.49Å; W223-Y253 PolarHBondContact NE1-O 3Å; W223-Y253 VanDerWaalsContact NE1-O 3.08Å; W223-V255 HydrophobicContact CB-CG2 4.06Å; W223-V255 HydrophobicContact CD2-CG2 4.36Å; W223-V255 HydrophobicContact CE3-CG2 3.76Å; W223-K433 HydrophobicContact CH2-CG 3.87Å; W223-K433 HydrophobicContact CZ3-CD 4.12Å; W223-K433 HydrophobicContact CZ3-CG 3.87Å; W223-M437 HydrophobicContact CZ2-CB 4.33Å
224	D	97	Very high	94.8	Very high	41 Å²	41	48.8 Å²	48.8	22%	0.219	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-40.4	176.9	175.6	67.3	0	0	0	112.2	Y220 E226 I227 K228 V237	Y220-D224 HydrophobicContact CD1-CB 4.36Å; Y220-D224 HydrophobicContact CE1-CB 4.11Å; Y220-D224 PolarHBondContact O-N 3.19Å; D224-E226 VanDerWaalsContact C-N 3.3Å; D224-E226 PolarHBondContact O-N 2.82Å; D224-I227 PolarHBondContact O-N 3.24Å; D224-K228 WeakPolarHBondContact O-CG 3.38Å; D224-K228 PolarHBondContact O-N 3.04Å; D224-K228 WeakPolarHBondContact OD1-CE 3.44Å; D224-K228 IonicContact OD1-NZ 3.6Å; D224-K228 WeakPolarHBondContact OD2-CE 3.47Å; D224-K228 IonicContact OD2-NZ 2.79Å; D224-K228 PolarHBondContact OD2-NZ 2.81Å; D224-V237 HydrophobicContact CB-CG2 3.98Å
225	R	96.6	Very high	95.2	Very high	127 Å²	127	48.8 Å²	48.8	48%	0.479	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-37.5	173.9	-75.4	-167.5	-54.9	-82.4	4.4	112.2	S221 D222 W223 K228 R229	S221-R225 WeakPolarHBondContact O-CB 3.48Å; S221-R225 WeakPolarHBondContact O-CG 3.46Å; S221-R225 PolarHBondContact O-N 2.78Å; S221-R225 PolarHBondContact O-NH1 2.96Å; S221-R225 VanDerWaalsContact O-NH1 3.16Å; S221-R225 PolarHBondContact OG-NH1 3Å; D222-R225 PolarHBondContact O-N 2.74Å; D222-R225 IonicContact OD1-CZ 2.95Å; D222-R225 IonicContact OD1-NH1 3.64Å; D222-R225 IonicContact OD1-NH2 2.6Å; D222-R225 PolarHBondContact OD1-NH2 3.08Å; W223-R225 PolarHBondContact O-N 2.81Å; R225-K228 PolarHBondContact O-N 2.74Å; R225-R229 WeakPolarHBondContact O-CB 3.38Å; R225-R229 PolarHBondContact O-N 3.25Å
226	E	96.4	Very high	95.4	Very high	11 Å²	11	49.8 Å²	49.8	5%	0.051	26%	0.263	C	S	.	.	H	α-helix	trans	-71.1	-38	178.4	-179.8	60.9	-176.8	0	0	112.7	F217 D222 W223 D224 K228 R229 T230 W280 F421 K433	F217-E226 HydrophobicContact CE1-CB 3.73Å; F217-E226 HydrophobicContact CE1-CG 3.96Å; F217-E226 HydrophobicContact CZ-CB 4.22Å; F217-E226 HydrophobicContact CZ-CG 4.19Å; D222-E226 PolarHBondContact O-N 2.91Å; W223-E226 PolarHBondContact O-N 2.69Å; D224-E226 VanDerWaalsContact C-N 3.3Å; D224-E226 PolarHBondContact O-N 2.82Å; E226-K228 VanDerWaalsContact C-N 3.33Å; E226-K228 PolarHBondContact O-N 3.25Å; E226-R229 PolarHBondContact O-N 2.96Å; E226-R229 IonicContact OE1-CZ 3.14Å; E226-R229 IonicContact OE1-NE 2.94Å; E226-R229 IonicContact OE1-NH2 2.77Å; E226-R229 PolarHBondContact OE1-NH2 3.49Å; E226-R229 IonicContact OE2-CZ 2.63Å; E226-R229 IonicContact OE2-NE 2.71Å; E226-R229 PolarHBondContact OE2-NE 3.1Å; E226-R229 IonicContact OE2-NH2 3.87Å; E226-R229 PolarHBondContact OE2-NH2 2.6Å; E226-T230 WeakPolarHBondContact O-CG2 3.25Å; E226-T230 PolarHBondContact O-N 3.41Å; E226-T230 VanDerWaalsContact O-N 3.08Å; E226-T230 PolarHBondContact O-OG1 3.43Å; E226-W280 HydrophobicContact CG-CH2 3.9Å; E226-W280 HydrophobicContact CG-CZ3 3.91Å; E226-F421 WeakPolarHBondContact OE1-CZ 3.33Å; E226-K433 HydrophobicContact CG-CD 4.28Å; E226-K433 IonicContact OE1-NZ 2.71Å; E226-K433 PolarHBondContact OE1-NZ 2.84Å
227	I	96.3	Very high	95.6	Very high	16 Å²	16	47.6 Å²	47.6	8%	0.082	25%	0.252	C	S	.	.	H	α-helix	trans	-57.4	-48.2	169.1	-70.2	174.2	0	0	0	110.1	W223 D224 T230 G231 A232 V237 V255 W280	W223-I227 WeakPolarHBondContact O-CG1 3.32Å; W223-I227 PolarHBondContact O-N 3.34Å; D224-I227 PolarHBondContact O-N 3.24Å; I227-T230 PolarHBondContact O-N 3.26Å; I227-T230 PolarHBondContact O-OG1 3.39Å; I227-T230 VanDerWaalsContact O-OG1 3.08Å; I227-G231 PolarHBondContact O-N 3.03Å; I227-A232 HydrophobicContact CG2-CB 4.16Å; I227-A232 PolarHBondContact O-N 3.2Å; I227-A232 VanDerWaalsContact O-N 3.08Å; I227-V237 HydrophobicContact CD1-CG2 3.67Å; I227-V255 HydrophobicContact CD1-CB 4.35Å; I227-V255 HydrophobicContact CD1-CG1 3.65Å; I227-V255 HydrophobicContact CD1-CG2 3.72Å; I227-V255 HydrophobicContact CG1-CG1 4Å; I227-V255 HydrophobicContact CG1-CG2 4Å; I227-W280 HydrophobicContact CG1-CH2 4.46Å; I227-W280 HydrophobicContact CG1-CZ3 4.32Å
228	K	96.4	Very high	95.6	Very high	139 Å²	139	47.5 Å²	47.5	60%	0.604	25%	0.252	S	S	*	.	H	α-helix	trans	-64.5	-40.3	179.7	-72.9	169	179.1	167.8	0	112.3	D224 R225 E226 T230 G231	D224-K228 WeakPolarHBondContact O-CG 3.38Å; D224-K228 PolarHBondContact O-N 3.04Å; D224-K228 WeakPolarHBondContact OD1-CE 3.44Å; D224-K228 IonicContact OD1-NZ 3.6Å; D224-K228 WeakPolarHBondContact OD2-CE 3.47Å; D224-K228 IonicContact OD2-NZ 2.79Å; D224-K228 PolarHBondContact OD2-NZ 2.81Å; R225-K228 PolarHBondContact O-N 2.74Å; E226-K228 VanDerWaalsContact C-N 3.33Å; E226-K228 PolarHBondContact O-N 3.25Å; K228-T230 VanDerWaalsContact C-N 3.34Å; K228-T230 PolarHBondContact O-N 3.42Å; K228-G231 PolarHBondContact O-N 2.67Å
229	R	95.9	Very high	95.7	Very high	84 Å²	84	46.6 Å²	46.6	32%	0.317	25%	0.253	S	S	.	.	H	α-helix	trans	-61.6	-41.9	178	-171.3	-166.3	66.8	76.2	-2.6	111.9	R225 E226 D418 H420	R225-R229 WeakPolarHBondContact O-CB 3.38Å; R225-R229 PolarHBondContact O-N 3.25Å; E226-R229 PolarHBondContact O-N 2.96Å; E226-R229 IonicContact OE1-CZ 3.14Å; E226-R229 IonicContact OE1-NE 2.94Å; E226-R229 IonicContact OE1-NH2 2.77Å; E226-R229 PolarHBondContact OE1-NH2 3.49Å; E226-R229 IonicContact OE2-CZ 2.63Å; E226-R229 IonicContact OE2-NE 2.71Å; E226-R229 PolarHBondContact OE2-NE 3.1Å; E226-R229 IonicContact OE2-NH2 3.87Å; E226-R229 PolarHBondContact OE2-NH2 2.6Å; R229-D418 IonicContact CZ-OD2 3.61Å; R229-D418 IonicContact NH1-OD1 2.96Å; R229-D418 PolarHBondContact NH1-OD1 3.38Å; R229-D418 IonicContact NH1-OD2 2.65Å; R229-D418 PolarHBondContact NH1-OD2 3.1Å; R229-D418 IonicContact NH2-OD2 2.85Å; R229-D418 PolarHBondContact NH2-OD2 2.81Å; R229-H420 VanDerWaalsContact CZ-CD2 3.48Å
230	T	95.2	Very high	95.8	Very high	17 Å²	17	44.7 Å²	44.7	10%	0.104	24%	0.24	C	C	.	.	H	α-helix	trans	-83.2	-11.9	-179.4	54	0	0	0	0	113.3	E226 I227 K228 A232 W280	E226-T230 WeakPolarHBondContact O-CG2 3.25Å; E226-T230 PolarHBondContact O-N 3.41Å; E226-T230 VanDerWaalsContact O-N 3.08Å; E226-T230 PolarHBondContact O-OG1 3.43Å; I227-T230 PolarHBondContact O-N 3.26Å; I227-T230 PolarHBondContact O-OG1 3.39Å; I227-T230 VanDerWaalsContact O-OG1 3.08Å; K228-T230 VanDerWaalsContact C-N 3.34Å; K228-T230 PolarHBondContact O-N 3.42Å; T230-A232 VanDerWaalsContact C-N 3.27Å; T230-A232 PolarHBondContact O-N 2.91Å; T230-W280 HydrophobicContact CG2-CH2 4.12Å; T230-W280 HydrophobicContact CG2-CZ2 4.21Å; T230-W280 WeakPolarHBondContact OG1-CH2 3.42Å; T230-W280 VanDerWaalsContact OG1-CZ2 3.28Å; T230-W280 WeakPolarHBondContact OG1-CZ2 3.39Å
231	G	94.4	Very high	95.7	Very high	59 Å²	59	39.4 Å²	39.4	61%	0.608	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	26.8	-175.3	0	0	0	0	0	113.1	I227 K228 S233	I227-G231 PolarHBondContact O-N 3.03Å; K228-G231 PolarHBondContact O-N 2.67Å; G231-S233 PolarHBondContact O-N 3.24Å
232	A	93.9	Very high	95.7	Very high	8 Å²	8	41.5 Å²	41.5	7%	0.066	22%	0.224	C	C	.	.			trans	-70.5	84.5	-175	0	0	0	0	0	112.1	I227 T230 W235 W280 S283	I227-A232 HydrophobicContact CG2-CB 4.16Å; I227-A232 PolarHBondContact O-N 3.2Å; I227-A232 VanDerWaalsContact O-N 3.08Å; T230-A232 VanDerWaalsContact C-N 3.27Å; T230-A232 PolarHBondContact O-N 2.91Å; A232-W235 HydrophobicContact CB-CB 4.48Å; A232-W235 HydrophobicContact CB-CG 4.38Å; A232-W280 HydrophobicContact CB-CZ2 3.73Å; A232-S283 WeakPolarHBondContact CB-OG 3.48Å
233	S	89	Confident	95.5	Very high	72 Å²	72	42.9 Å²	42.9	50%	0.503	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	142.2	173.8	62.8	0	0	0	0	111.5	G231 W235	G231-S233 PolarHBondContact O-N 3.24Å; S233-W235 VanDerWaalsContact C-N 3.35Å; S233-W235 VanDerWaalsContact O-CD1 3.27Å
234	G	94.7	Very high	95.4	Very high	34 Å²	34	43.9 Å²	43.9	35%	0.351	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	6.7	179.2	0	0	0	0	0	114.7	S258 S316	G234-S258 WeakPolarHBondContact O-CB 3.4Å; G234-S258 PolarHBondContact O-N 2.87Å; G234-S258 PolarHBondContact O-OG 2.97Å; G234-S316 PolarHBondContact O-OG 2.71Å
235	W	97.8	Very high	95.2	Very high	16 Å²	16	49.1 Å²	49.1	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	149.7	175.9	-60.2	87.2	0	0	0	110.7	A232 S233 V255 V256 P257 S258 W280 A289 V291 I313	A232-W235 HydrophobicContact CB-CB 4.48Å; A232-W235 HydrophobicContact CB-CG 4.38Å; S233-W235 VanDerWaalsContact C-N 3.35Å; S233-W235 VanDerWaalsContact O-CD1 3.27Å; W235-V255 HydrophobicContact CB-CG1 3.83Å; W235-V255 HydrophobicContact CE3-CG1 4.32Å; W235-V256 WeakPolarHBondContact CA-O 3.45Å; W235-V256 VanDerWaalsContact CE3-C 3.47Å; W235-P257 HydrophobicContact CE3-CG 4.14Å; W235-P257 HydrophobicContact CH2-CG 3.92Å; W235-P257 HydrophobicContact CZ3-CB 4.49Å; W235-P257 VanDerWaalsContact CZ3-CD 3.44Å; W235-P257 HydrophobicContact CZ3-CG 3.58Å; W235-S258 PolarHBondContact N-OG 2.94Å; W235-S258 PolarHBondContact O-OG 2.97Å; W235-W280 HydrophobicContact CD2-CB 4.24Å; W235-W280 AromaticContact CD2-CD1 3.48Å; W235-W280 VanDerWaalsContact CD2-CD1 3.48Å; W235-W280 HydrophobicContact CD2-CG 4.03Å; W235-W280 AromaticContact CE2-CD1 3.66Å; W235-W280 HydrophobicContact CE3-CB 3.5Å; W235-W280 VanDerWaalsContact CE3-CB 3.5Å; W235-W280 AromaticContact CE3-CD1 3.62Å; W235-W280 AromaticContact CE3-CG 3.8Å; W235-W280 HydrophobicContact CE3-CG 3.8Å; W235-W280 HydrophobicContact CH2-CB 4.46Å; W235-W280 HydrophobicContact CZ3-CB 3.61Å; W235-W280 AromaticContact CZ3-CD1 3.9Å; W235-W280 HydrophobicContact CZ3-CG 4.14Å; W235-A289 HydrophobicContact CH2-CB 4.11Å; W235-A289 HydrophobicContact CZ2-CB 3.29Å; W235-V291 HydrophobicContact CH2-CG2 3.48Å; W235-V291 VanDerWaalsContact CH2-CG2 3.48Å; W235-V291 HydrophobicContact CZ2-CG2 4.28Å; W235-V291 HydrophobicContact CZ3-CG2 4.19Å; W235-I313 HydrophobicContact CH2-CG1 4.24Å; W235-I313 HydrophobicContact CH2-CG2 4.45Å
236	R	97.4	Very high	95	Very high	57 Å²	57	44 Å²	44	22%	0.215	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	148.8	177.8	68.1	178.9	-179.5	89.8	2.5	111.8	V255 V256 S258 L260 D262	R236-V255 WeakPolarHBondContact O-CA 3.49Å; R236-V256 HydrophobicContact CG-CG2 3.93Å; R236-V256 PolarHBondContact N-O 3.23Å; R236-V256 PolarHBondContact O-N 3.31Å; R236-S258 PolarHBondContact N-OG 2.86Å; R236-L260 PolarHBondContact NE-O 2.8Å; R236-L260 PolarHBondContact NH2-O 2.87Å; R236-D262 IonicContact CZ-OD1 3.53Å; R236-D262 VanDerWaalsContact CZ-OD1 3.26Å; R236-D262 IonicContact NH1-OD1 2.77Å; R236-D262 PolarHBondContact NH1-OD1 2.82Å; R236-D262 IonicContact NH1-OD2 2.91Å; R236-D262 IonicContact NH2-OD1 3.49Å; R236-D262 PolarHBondContact NH2-OD1 2.89Å
237	V	97.6	Very high	94.9	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	133.5	166.5	-171.8	0	0	0	0	108.9	Y220 W223 D224 I227 V255	Y220-V237 HydrophobicContact CD2-CB 3.85Å; Y220-V237 HydrophobicContact CD2-CG1 3.4Å; Y220-V237 VanDerWaalsContact CD2-CG1 3.4Å; Y220-V237 HydrophobicContact CE1-CB 4.24Å; Y220-V237 HydrophobicContact CE1-CG2 4.35Å; Y220-V237 HydrophobicContact CE2-CB 3.44Å; Y220-V237 VanDerWaalsContact CE2-CB 3.44Å; Y220-V237 HydrophobicContact CE2-CG1 3.57Å; Y220-V237 HydrophobicContact CE2-CG2 4.4Å; Y220-V237 HydrophobicContact CG-CB 4.4Å; Y220-V237 HydrophobicContact CG-CG1 3.92Å; W223-V237 HydrophobicContact CB-CB 4.5Å; W223-V237 HydrophobicContact CB-CG1 3.92Å; W223-V237 HydrophobicContact CB-CG2 3.76Å; D224-V237 HydrophobicContact CB-CG2 3.98Å; I227-V237 HydrophobicContact CD1-CG2 3.67Å; V237-V255 HydrophobicContact CG2-CG2 4.29Å
238	C	94.9	Very high	94.8	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.8	-179.5	-171.5	0	0	0	0	109.1	I240 Y253 F254 V256 D262	C238-I240 VanDerWaalsContact SG-CB 3.55Å; C238-I240 WeakPolarHBondContact SG-CG2 3.31Å; C238-Y253 WeakPolarHBondContact O-CA 3.21Å; C238-F254 HydrophobicContact CB-CE2 4.45Å; C238-F254 HydrophobicContact CB-CZ 4.43Å; C238-F254 WeakPolarHBondContact CB-O 3.39Å; C238-F254 PolarHBondContact N-O 3.22Å; C238-F254 PolarHBondContact O-N 3.12Å; C238-V256 HydrophobicContact CB-CG1 4.28Å; C238-V256 HydrophobicContact CB-CG2 3.89Å; C238-D262 PolarHBondContact SG-OD1 2.93Å; C238-D262 VanDerWaalsContact SG-OD1 3.33Å
239	S	95.9	Very high	94.5	Very high	51 Å²	51	40.2 Å²	40.2	36%	0.357	24%	0.244	S	C	.	.			trans	-104.7	11.4	177.3	54.6	0	0	0	0	112.8	N241 E242	S239-N241 PolarHBondContact O-N 2.64Å; S239-N241 VanDerWaalsContact O-N 3.08Å; S239-E242 VanDerWaalsContact O-CB 3.25Å; S239-E242 WeakPolarHBondContact O-CB 3.49Å; S239-E242 PolarHBondContact O-N 2.88Å
240	I	95.2	Very high	94.4	Very high	20 Å²	20	36.2 Å²	36.2	10%	0.103	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.3	-173.4	-153.1	-177.6	0	0	0	113.8	C238 I246 F254 D262 L265 K266	C238-I240 VanDerWaalsContact SG-CB 3.55Å; C238-I240 WeakPolarHBondContact SG-CG2 3.31Å; I240-I246 HydrophobicContact CB-CD1 3.98Å; I240-I246 HydrophobicContact CD1-CD1 3.49Å; I240-I246 VanDerWaalsContact CD1-CD1 3.49Å; I240-I246 HydrophobicContact CG1-CD1 3.4Å; I240-I246 HydrophobicContact CG2-CD1 3.7Å; I240-I246 WeakPolarHBondContact O-CD1 3.48Å; I240-F254 HydrophobicContact CG2-CE1 4.12Å; I240-F254 HydrophobicContact CG2-CZ 3.95Å; I240-D262 HydrophobicContact CD1-CB 3.54Å; I240-D262 WeakPolarHBondContact CD1-O 3.41Å; I240-D262 HydrophobicContact CG1-CB 4.13Å; I240-L265 HydrophobicContact CD1-CB 4.06Å; I240-K266 HydrophobicContact CD1-CD 4Å; I240-K266 HydrophobicContact CD1-CG 3.62Å; I240-K266 HydrophobicContact CG1-CD 4.45Å; I240-K266 HydrophobicContact CG1-CG 4.32Å
241	N	95.8	Very high	94.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	15.2	178.8	-163.2	47.9	0	0	0	112.7	S239 G243 Y244 I246 S247 L250 P251 E252 F254	S239-N241 PolarHBondContact O-N 2.64Å; S239-N241 VanDerWaalsContact O-N 3.08Å; N241-G243 PolarHBondContact O-N 3.11Å; N241-Y244 VanDerWaalsContact O-CA 3.25Å; N241-Y244 WeakPolarHBondContact O-CA 3.39Å; N241-Y244 PolarHBondContact O-N 3.15Å; N241-I246 WeakPolarHBondContact OD1-CA 3.4Å; N241-I246 WeakPolarHBondContact OD1-CB 3.37Å; N241-I246 PolarHBondContact OD1-N 3.48Å; N241-S247 PolarHBondContact ND2-O 3.32Å; N241-S247 PolarHBondContact OD1-N 3.04Å; N241-S247 PolarHBondContact OD1-O 3.14Å; N241-L250 PolarHBondContact ND2-O 3.4Å; N241-P251 PolarHBondContact ND2-O 2.77Å; N241-E252 CarbonylContact C-O 3.51Å; N241-E252 WeakPolarHBondContact O-CA 3.16Å; N241-F254 HydrophobicContact CB-CE1 3.82Å
242	E	95.4	Very high	94.4	Very high	93 Å²	93	33.7 Å²	33.7	44%	0.435	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-54.7	135.3	169.5	-176.1	163.5	-145.7	0	0	110.2	S239 Y244 M245 E252 Y253	S239-E242 VanDerWaalsContact O-CB 3.25Å; S239-E242 WeakPolarHBondContact O-CB 3.49Å; S239-E242 PolarHBondContact O-N 2.88Å; E242-Y244 PolarHBondContact O-N 3.31Å; E242-M245 WeakPolarHBondContact O-CG 3.42Å; E242-E252 PolarHBondContact N-O 3.35Å; E242-Y253 PolarHBondContact OE1-OH 2.95Å
243	G	93.2	Very high	94.5	Very high	47 Å²	47	34.8 Å²	34.8	49%	0.485	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	67.7	12.2	-170	0	0	0	0	0	114.8	N241 M245 E252	N241-G243 PolarHBondContact O-N 3.11Å; G243-M245 PolarHBondContact O-N 2.82Å; G243-E252 PolarHBondContact N-OE1 3.02Å
244	Y	94.6	Very high	94.8	Very high	22 Å²	22	31.5 Å²	31.5	9%	0.086	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	59.4	30.2	-177.5	-50.7	-80.6	0	0	0	114.2	N241 E242 I246 L250 E252 P504 H505 V508	N241-Y244 VanDerWaalsContact O-CA 3.25Å; N241-Y244 WeakPolarHBondContact O-CA 3.39Å; N241-Y244 PolarHBondContact O-N 3.15Å; E242-Y244 PolarHBondContact O-N 3.31Å; Y244-I246 PolarHBondContact O-N 3.17Å; Y244-L250 WeakPolarHBondContact CD1-O 3.46Å; Y244-E252 HydrophobicContact CD1-CG 4.3Å; Y244-E252 HydrophobicContact CD2-CG 4.34Å; Y244-E252 HydrophobicContact CE1-CG 3.88Å; Y244-E252 HydrophobicContact CE2-CG 3.91Å; Y244-P504 HydrophobicContact CE1-CB 4.16Å; Y244-P504 VanDerWaalsContact OH-C 3.25Å; Y244-P504 VanDerWaalsContact OH-CB 3.3Å; Y244-P504 WeakPolarHBondContact OH-CB 3.45Å; Y244-P504 PolarHBondContact OH-O 3.19Å; Y244-H505 HydrophobicContact CD1-CB 3.63Å; Y244-H505 HydrophobicContact CD2-CB 4.08Å; Y244-H505 AromaticContact CD2-CD2 3.61Å; Y244-H505 HydrophobicContact CE1-CB 3.71Å; Y244-H505 HydrophobicContact CE2-CB 4.17Å; Y244-H505 HydrophobicContact CG-CB 3.8Å; Y244-H505 AromaticContact CG-CD2 3.63Å; Y244-H505 PolarHBondContact OH-N 2.95Å; Y244-V508 HydrophobicContact CE2-CB 4.43Å; Y244-V508 HydrophobicContact CE2-CG2 4.22Å
245	M	92.6	Very high	94.9	Very high	152 Å²	152	29.9 Å²	29.9	75%	0.749	16%	0.163	S	C	*	.	S	Bend	trans	-64.5	-24.4	-173	-66.9	-63.2	-68.5	0	0	114.2	E242 G243	E242-M245 WeakPolarHBondContact O-CG 3.42Å; G243-M245 PolarHBondContact O-N 2.82Å
246	I	93	Very high	94.9	Very high	18 Å²	18	29.1 Å²	29.1	9%	0.092	16%	0.16	C	C	.	.	S	Bend	trans	-103.2	-49.4	-177.8	-74.9	173.6	0	0	0	111.7	I240 N241 Y244 K266 S269 R275	I240-I246 HydrophobicContact CB-CD1 3.98Å; I240-I246 HydrophobicContact CD1-CD1 3.49Å; I240-I246 VanDerWaalsContact CD1-CD1 3.49Å; I240-I246 HydrophobicContact CG1-CD1 3.4Å; I240-I246 HydrophobicContact CG2-CD1 3.7Å; I240-I246 WeakPolarHBondContact O-CD1 3.48Å; N241-I246 WeakPolarHBondContact OD1-CA 3.4Å; N241-I246 WeakPolarHBondContact OD1-CB 3.37Å; N241-I246 PolarHBondContact OD1-N 3.48Å; Y244-I246 PolarHBondContact O-N 3.17Å; I246-K266 HydrophobicContact CD1-CG 3.77Å; I246-S269 WeakPolarHBondContact CG2-OG 3.42Å; I246-R275 WeakPolarHBondContact O-CD 3.37Å; I246-R275 PolarHBondContact O-NH1 2.81Å
247	S	93.8	Very high	94.9	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.021	15%	0.151	C	C	.	.			trans	-143.1	126.4	-178.1	179.4	0	0	0	0	110.7	N241 C249 L250 G274 R275	N241-S247 PolarHBondContact ND2-O 3.32Å; N241-S247 PolarHBondContact OD1-N 3.04Å; N241-S247 PolarHBondContact OD1-O 3.14Å; S247-C249 PolarHBondContact O-N 3.49Å; S247-C249 PolarHBondContact OG-N 2.76Å; S247-C249 VanDerWaalsContact OG-N 3.11Å; S247-L250 PolarHBondContact OG-N 3.26Å; S247-G274 PolarHBondContact OG-O 2.62Å; S247-R275 WeakPolarHBondContact CB-O 3.49Å
248	T	94.1	Very high	94.9	Very high	66 Å²	66	29 Å²	29	41%	0.405	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-6.1	170.5	55.5	0	0	0	0	112.9	S503 H505	T248-S503 PolarHBondContact O-OG 3.11Å; T248-H505 VanDerWaalsContact O-CB 3.28Å; T248-H505 WeakPolarHBondContact O-CB 3.48Å
249	C	91	Very high	94.9	Very high	19 Å²	19	31.4 Å²	31.4	13%	0.128	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-21.5	178	-60.6	0	0	0	0	112.2	S247 R276	S247-C249 PolarHBondContact O-N 3.49Å; S247-C249 PolarHBondContact OG-N 2.76Å; S247-C249 VanDerWaalsContact OG-N 3.11Å; C249-R276 HydrophobicContact CB-CG 3.86Å; C249-R276 PolarHBondContact O-NH1 2.68Å
250	L	92.4	Very high	94.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-94	158	177.5	-72.8	174.9	0	0	0	111.6	N241 Y244 S247 F254 R276 F279	N241-L250 PolarHBondContact ND2-O 3.4Å; Y244-L250 WeakPolarHBondContact CD1-O 3.46Å; S247-L250 PolarHBondContact OG-N 3.26Å; L250-F254 HydrophobicContact CD1-CE1 4.39Å; L250-F254 HydrophobicContact CD1-CZ 4.33Å; L250-R276 HydrophobicContact CD2-CB 4.46Å; L250-R276 HydrophobicContact CD2-CG 4.31Å; L250-R276 HydrophobicContact CG-CG 4.24Å; L250-F279 HydrophobicContact CD2-CD1 3.99Å; L250-F279 HydrophobicContact CD2-CE1 4.2Å
251	P	94.8	Very high	94.8	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.013	18%	0.183	C	C	.	.			trans	-66.3	163.8	168.6	30.5	-35.9	0	0	0	111.4	W223 N241 Y253 F254 M437	W223-P251 HydrophobicContact CZ2-CG 4.16Å; N241-P251 PolarHBondContact ND2-O 2.77Å; P251-Y253 VanDerWaalsContact C-N 3.26Å; P251-Y253 WeakPolarHBondContact CB-O 3.36Å; P251-Y253 VanDerWaalsContact CG-O 3.23Å; P251-Y253 WeakPolarHBondContact CG-O 3.28Å; P251-Y253 PolarHBondContact O-N 3.16Å; P251-F254 HydrophobicContact CG-CB 4.07Å; P251-M437 HydrophobicContact CB-CB 4.43Å; P251-M437 HydrophobicContact CB-CE 3.97Å; P251-M437 WeakPolarHBondContact CD-O 3.25Å
252	E	94.9	Very high	94.7	Very high	20 Å²	20	33.2 Å²	33.2	9%	0.093	20%	0.198	C	C	.	.	S	Bend	trans	-61.6	-37.5	176.3	-70.6	-170.2	94.1	0	0	112	N241 E242 G243 Y244 K526	N241-E252 CarbonylContact C-O 3.51Å; N241-E252 WeakPolarHBondContact O-CA 3.16Å; E242-E252 PolarHBondContact N-O 3.35Å; G243-E252 PolarHBondContact N-OE1 3.02Å; Y244-E252 HydrophobicContact CD1-CG 4.3Å; Y244-E252 HydrophobicContact CD2-CG 4.34Å; Y244-E252 HydrophobicContact CE1-CG 3.88Å; Y244-E252 HydrophobicContact CE2-CG 3.91Å; E252-K526 IonicContact OE1-NZ 3.64Å; E252-K526 PolarHBondContact OE1-NZ 3.14Å; E252-K526 IonicContact OE2-NZ 2.67Å; E252-K526 PolarHBondContact OE2-NZ 3.14Å
253	Y	96.1	Very high	94.6	Very high	31 Å²	31	35.7 Å²	35.7	12%	0.122	21%	0.209	C	C	.	.	S	Bend	trans	-121.5	136.8	176.8	-47.5	-77.1	0	0	0	109.8	E218 Y220 W223 C238 E242 P251	E218-Y253 WeakPolarHBondContact O-CD2 3.4Å; E218-Y253 WeakPolarHBondContact O-CE2 3.47Å; Y220-Y253 HydrophobicContact CD2-CD1 4.39Å; W223-Y253 WeakPolarHBondContact CZ2-O 3.49Å; W223-Y253 PolarHBondContact NE1-O 3Å; W223-Y253 VanDerWaalsContact NE1-O 3.08Å; C238-Y253 WeakPolarHBondContact O-CA 3.21Å; E242-Y253 PolarHBondContact OE1-OH 2.95Å; P251-Y253 VanDerWaalsContact C-N 3.26Å; P251-Y253 WeakPolarHBondContact CB-O 3.36Å; P251-Y253 VanDerWaalsContact CG-O 3.23Å; P251-Y253 WeakPolarHBondContact CG-O 3.28Å; P251-Y253 PolarHBondContact O-N 3.16Å
254	F	95.6	Very high	94.6	Very high	3 Å²	3	35 Å²	35	1%	0.013	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	172.3	175.8	58.4	-79.5	0	0	0	109.6	C238 I240 N241 L250 P251 V256 F279	C238-F254 HydrophobicContact CB-CE2 4.45Å; C238-F254 HydrophobicContact CB-CZ 4.43Å; C238-F254 WeakPolarHBondContact CB-O 3.39Å; C238-F254 PolarHBondContact N-O 3.22Å; C238-F254 PolarHBondContact O-N 3.12Å; I240-F254 HydrophobicContact CG2-CE1 4.12Å; I240-F254 HydrophobicContact CG2-CZ 3.95Å; N241-F254 HydrophobicContact CB-CE1 3.82Å; L250-F254 HydrophobicContact CD1-CE1 4.39Å; L250-F254 HydrophobicContact CD1-CZ 4.33Å; P251-F254 HydrophobicContact CG-CB 4.07Å; F254-V256 HydrophobicContact CD2-CG1 3.66Å; F254-V256 HydrophobicContact CE2-CG1 3.37Å; F254-V256 HydrophobicContact CZ-CG1 4.45Å; F254-F279 HydrophobicContact CB-CB 4.4Å; F254-F279 HydrophobicContact CD2-CB 3.77Å; F254-F279 HydrophobicContact CG-CB 4.49Å
255	V	97.7	Very high	94.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.7	-172.4	178.7	0	0	0	0	111.1	W223 I227 W235 R236 V237 F279 W280	W223-V255 HydrophobicContact CB-CG2 4.06Å; W223-V255 HydrophobicContact CD2-CG2 4.36Å; W223-V255 HydrophobicContact CE3-CG2 3.76Å; I227-V255 HydrophobicContact CD1-CB 4.35Å; I227-V255 HydrophobicContact CD1-CG1 3.65Å; I227-V255 HydrophobicContact CD1-CG2 3.72Å; I227-V255 HydrophobicContact CG1-CG1 4Å; I227-V255 HydrophobicContact CG1-CG2 4Å; W235-V255 HydrophobicContact CB-CG1 3.83Å; W235-V255 HydrophobicContact CE3-CG1 4.32Å; R236-V255 WeakPolarHBondContact O-CA 3.49Å; V237-V255 HydrophobicContact CG2-CG2 4.29Å; V255-F279 WeakPolarHBondContact O-CA 3.3Å; V255-W280 HydrophobicContact CB-CB 3.83Å; V255-W280 HydrophobicContact CB-CD2 4.26Å; V255-W280 HydrophobicContact CB-CE3 3.79Å; V255-W280 HydrophobicContact CB-CG 4.34Å; V255-W280 HydrophobicContact CG1-CB 3.66Å; V255-W280 HydrophobicContact CG1-CD2 3.92Å; V255-W280 HydrophobicContact CG1-CE3 3.85Å; V255-W280 HydrophobicContact CG1-CG 3.89Å; V255-W280 HydrophobicContact CG2-CE3 4Å; V255-W280 HydrophobicContact CG2-CZ3 4.46Å; V255-W280 PolarHBondContact O-N 3.04Å
256	V	97.3	Very high	94.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	161.2	-177.9	-60.6	0	0	0	0	110.8	W235 R236 C238 F254 S258 L265	W235-V256 WeakPolarHBondContact CA-O 3.45Å; W235-V256 VanDerWaalsContact CE3-C 3.47Å; R236-V256 HydrophobicContact CG-CG2 3.93Å; R236-V256 PolarHBondContact N-O 3.23Å; R236-V256 PolarHBondContact O-N 3.31Å; C238-V256 HydrophobicContact CB-CG1 4.28Å; C238-V256 HydrophobicContact CB-CG2 3.89Å; F254-V256 HydrophobicContact CD2-CG1 3.66Å; F254-V256 HydrophobicContact CE2-CG1 3.37Å; F254-V256 HydrophobicContact CZ-CG1 4.45Å; V256-S258 PolarHBondContact O-N 2.77Å; V256-L265 HydrophobicContact CG1-CD1 4.14Å; V256-L265 HydrophobicContact CG2-CD1 4.2Å
257	P	97.7	Very high	94.5	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.019	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	132.7	169.7	-28.1	36.8	0	0	0	111.8	W235 S259 L260 A312 I313 S316	W235-P257 HydrophobicContact CE3-CG 4.14Å; W235-P257 HydrophobicContact CH2-CG 3.92Å; W235-P257 HydrophobicContact CZ3-CB 4.49Å; W235-P257 VanDerWaalsContact CZ3-CD 3.44Å; W235-P257 HydrophobicContact CZ3-CG 3.58Å; P257-S259 PolarHBondContact O-N 3.12Å; P257-S259 VanDerWaalsContact O-N 3.12Å; P257-L260 HydrophobicContact CB-CD1 4.39Å; P257-L260 HydrophobicContact CB-CG 4.25Å; P257-L260 HydrophobicContact CG-CD1 4.1Å; P257-L260 HydrophobicContact CG-CG 4.49Å; P257-L260 PolarHBondContact O-N 3.31Å; P257-A312 HydrophobicContact CB-CB 3.88Å; P257-A312 HydrophobicContact CG-CB 4.17Å; P257-I313 HydrophobicContact CG-CG1 4.12Å; P257-S316 WeakPolarHBondContact CB-OG 3.24Å
258	S	96.6	Very high	94.4	Very high	60 Å²	60	37.6 Å²	37.6	42%	0.42	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.5	180	-63.6	0	0	0	0	113	G234 W235 R236 V256 L260	G234-S258 WeakPolarHBondContact O-CB 3.4Å; G234-S258 PolarHBondContact O-N 2.87Å; G234-S258 PolarHBondContact O-OG 2.97Å; W235-S258 PolarHBondContact N-OG 2.94Å; W235-S258 PolarHBondContact O-OG 2.97Å; R236-S258 PolarHBondContact N-OG 2.86Å; V256-S258 PolarHBondContact O-N 2.77Å; S258-L260 VanDerWaalsContact C-N 3.33Å
259	S	95.9	Very high	94.4	Very high	49 Å²	49	34.7 Å²	34.7	34%	0.343	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-10.4	176.4	63.6	0	0	0	0	114.8	P257 A312	P257-S259 PolarHBondContact O-N 3.12Å; P257-S259 VanDerWaalsContact O-N 3.12Å; S259-A312 WeakPolarHBondContact OG-CA 3.31Å; S259-A312 WeakPolarHBondContact OG-CB 3.45Å
260	L	94.9	Very high	94.5	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.016	20%	0.2	C	C	.	.	S	Bend	trans	-87.4	120	171.3	-71.4	179.4	0	0	0	108.9	R236 P257 S258 L265 R308 A312	R236-L260 PolarHBondContact NE-O 2.8Å; R236-L260 PolarHBondContact NH2-O 2.87Å; P257-L260 HydrophobicContact CB-CD1 4.39Å; P257-L260 HydrophobicContact CB-CG 4.25Å; P257-L260 HydrophobicContact CG-CD1 4.1Å; P257-L260 HydrophobicContact CG-CG 4.49Å; P257-L260 PolarHBondContact O-N 3.31Å; S258-L260 VanDerWaalsContact C-N 3.33Å; L260-L265 HydrophobicContact CD1-CD2 4.27Å; L260-R308 HydrophobicContact CD2-CG 4.26Å; L260-A312 HydrophobicContact CD1-CB 4.02Å; L260-A312 HydrophobicContact CD2-CB 3.63Å; L260-A312 HydrophobicContact CG-CB 3.49Å; L260-A312 VanDerWaalsContact CG-CB 3.49Å
261	A	93.6	Very high	94.6	Very high	50 Å²	50	37.1 Å²	37.1	41%	0.413	20%	0.203	S	C	.	.			trans	-77.6	153	176	0	0	0	0	0	111.2	Q263 D264 L265	A261-Q263 PolarHBondContact O-N 2.81Å; A261-D264 WeakPolarHBondContact O-CB 3.1Å; A261-D264 PolarHBondContact O-N 2.9Å; A261-D264 VanDerWaalsContact O-N 3.08Å; A261-L265 PolarHBondContact O-N 3.13Å
262	D	94.2	Very high	94.6	Very high	57 Å²	57	37 Å²	37	31%	0.305	20%	0.202	S	C	.	.	H	α-helix	trans	-60	-32.4	176.5	-74.5	-8.5	0	0	0	112.1	R236 C238 I240 D264 L265 K266	R236-D262 IonicContact CZ-OD1 3.53Å; R236-D262 VanDerWaalsContact CZ-OD1 3.26Å; R236-D262 IonicContact NH1-OD1 2.77Å; R236-D262 PolarHBondContact NH1-OD1 2.82Å; R236-D262 IonicContact NH1-OD2 2.91Å; R236-D262 IonicContact NH2-OD1 3.49Å; R236-D262 PolarHBondContact NH2-OD1 2.89Å; C238-D262 PolarHBondContact SG-OD1 2.93Å; C238-D262 VanDerWaalsContact SG-OD1 3.33Å; I240-D262 HydrophobicContact CD1-CB 3.54Å; I240-D262 WeakPolarHBondContact CD1-O 3.41Å; I240-D262 HydrophobicContact CG1-CB 4.13Å; D262-D264 PolarHBondContact O-N 3.46Å; D262-L265 PolarHBondContact O-N 2.91Å; D262-K266 PolarHBondContact O-N 3.2Å
263	Q	93.6	Very high	94.6	Very high	144 Å²	144	37.6 Å²	37.6	67%	0.673	21%	0.207	S	C	*	.	H	α-helix	trans	-63	-41.1	175	-170.6	175.2	12.9	0	0	112.2	A261 L265 K266 I267	A261-Q263 PolarHBondContact O-N 2.81Å; Q263-L265 VanDerWaalsContact C-N 3.34Å; Q263-L265 PolarHBondContact O-N 3.23Å; Q263-K266 PolarHBondContact O-N 2.72Å; Q263-I267 HydrophobicContact CG-CD1 4.07Å; Q263-I267 WeakPolarHBondContact O-CD1 3.42Å; Q263-I267 VanDerWaalsContact O-CG1 3.27Å; Q263-I267 WeakPolarHBondContact O-CG1 3.35Å; Q263-I267 PolarHBondContact O-N 2.86Å; Q263-I267 VanDerWaalsContact O-N 3.08Å
264	D	91.8	Very high	94.4	Very high	33 Å²	33	37.9 Å²	37.9	18%	0.176	22%	0.219	C	C	.	.	H	α-helix	trans	-61.3	-45.3	175.1	-74.1	-16.1	0	0	0	110.1	A261 D262 K266 I267 F268 R308	A261-D264 WeakPolarHBondContact O-CB 3.1Å; A261-D264 PolarHBondContact O-N 2.9Å; A261-D264 VanDerWaalsContact O-N 3.08Å; D262-D264 PolarHBondContact O-N 3.46Å; D264-K266 PolarHBondContact O-N 3.49Å; D264-I267 PolarHBondContact O-N 3.03Å; D264-F268 HydrophobicContact CB-CD2 4.17Å; D264-F268 HydrophobicContact CB-CE2 3.67Å; D264-F268 HydrophobicContact CB-CZ 4.24Å; D264-F268 WeakPolarHBondContact O-CB 3.45Å; D264-F268 WeakPolarHBondContact O-CD2 3.31Å; D264-F268 WeakPolarHBondContact O-CG 3.39Å; D264-F268 PolarHBondContact O-N 3.03Å; D264-R308 IonicContact OD2-CZ 3.51Å; D264-R308 IonicContact OD2-NE 3.39Å; D264-R308 PolarHBondContact OD2-NE 3.41Å; D264-R308 IonicContact OD2-NH2 3.64Å; D264-R308 PolarHBondContact OD2-NH2 2.92Å
265	L	92.4	Very high	94.3	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-41.8	178.7	-62.8	174.4	0	0	0	112	I240 V256 L260 A261 D262 Q263 I267 F268 S269 M277	I240-L265 HydrophobicContact CD1-CB 4.06Å; V256-L265 HydrophobicContact CG1-CD1 4.14Å; V256-L265 HydrophobicContact CG2-CD1 4.2Å; L260-L265 HydrophobicContact CD1-CD2 4.27Å; A261-L265 PolarHBondContact O-N 3.13Å; D262-L265 PolarHBondContact O-N 2.91Å; Q263-L265 VanDerWaalsContact C-N 3.34Å; Q263-L265 PolarHBondContact O-N 3.23Å; L265-I267 VanDerWaalsContact C-N 3.32Å; L265-I267 PolarHBondContact O-N 3.1Å; L265-F268 PolarHBondContact O-N 3.27Å; L265-S269 VanDerWaalsContact O-CB 3.31Å; L265-S269 WeakPolarHBondContact O-CB 3.3Å; L265-S269 PolarHBondContact O-N 3.09Å; L265-M277 HydrophobicContact CB-SD 4.05Å; L265-M277 HydrophobicContact CD2-SD 3.78Å
266	K	93.3	Very high	94.1	Very high	127 Å²	127	43.6 Å²	43.6	55%	0.552	24%	0.241	S	C	*	.	H	α-helix	trans	-61	-39.7	174.2	-84.6	166.4	-175.8	-176.7	0	112.7	I240 I246 D262 Q263 D264	I240-K266 HydrophobicContact CD1-CD 4Å; I240-K266 HydrophobicContact CD1-CG 3.62Å; I240-K266 HydrophobicContact CG1-CD 4.45Å; I240-K266 HydrophobicContact CG1-CG 4.32Å; I246-K266 HydrophobicContact CD1-CG 3.77Å; D262-K266 PolarHBondContact O-N 3.2Å; Q263-K266 PolarHBondContact O-N 2.72Å; D264-K266 PolarHBondContact O-N 3.49Å
267	I	92.4	Very high	93.7	Very high	96 Å²	96	43.8 Å²	43.8	49%	0.492	24%	0.242	S	C	.	.	H	α-helix	trans	-71.9	-40.9	-179.3	-68.5	165.7	0	0	0	110.6	Q263 D264 L265 P270	Q263-I267 HydrophobicContact CG-CD1 4.07Å; Q263-I267 WeakPolarHBondContact O-CD1 3.42Å; Q263-I267 VanDerWaalsContact O-CG1 3.27Å; Q263-I267 WeakPolarHBondContact O-CG1 3.35Å; Q263-I267 PolarHBondContact O-N 2.86Å; Q263-I267 VanDerWaalsContact O-N 3.08Å; D264-I267 PolarHBondContact O-N 3.03Å; L265-I267 VanDerWaalsContact C-N 3.32Å; L265-I267 PolarHBondContact O-N 3.1Å; I267-P270 VanDerWaalsContact O-CD 3.31Å; I267-P270 WeakPolarHBondContact O-CD 3.45Å
268	F	91.9	Very high	93.4	Very high	23 Å²	23	43.8 Å²	43.8	10%	0.101	24%	0.242	C	C	.	.	H	α-helix	trans	-84.6	-27.2	-174.5	-58.1	-28.1	0	0	0	113.7	D264 L265 P270 S271 F272 M277 I305 R308	D264-F268 HydrophobicContact CB-CD2 4.17Å; D264-F268 HydrophobicContact CB-CE2 3.67Å; D264-F268 HydrophobicContact CB-CZ 4.24Å; D264-F268 WeakPolarHBondContact O-CB 3.45Å; D264-F268 WeakPolarHBondContact O-CD2 3.31Å; D264-F268 WeakPolarHBondContact O-CG 3.39Å; D264-F268 PolarHBondContact O-N 3.03Å; L265-F268 PolarHBondContact O-N 3.27Å; F268-P270 VanDerWaalsContact C-N 3.31Å; F268-P270 VanDerWaalsContact O-N 3.17Å; F268-S271 WeakPolarHBondContact O-CB 3.41Å; F268-S271 PolarHBondContact O-N 3.42Å; F268-F272 HydrophobicContact CB-CE2 4.31Å; F268-F272 WeakPolarHBondContact O-CD2 3.3Å; F268-M277 VanDerWaalsContact C-CE 3.48Å; F268-M277 HydrophobicContact CB-CE 3.45Å; F268-M277 VanDerWaalsContact CB-CE 3.45Å; F268-M277 HydrophobicContact CB-SD 4.16Å; F268-I305 HydrophobicContact CB-CG2 4.29Å; F268-I305 HydrophobicContact CD1-CD1 4.41Å; F268-I305 HydrophobicContact CD1-CG1 3.97Å; F268-I305 HydrophobicContact CD2-CG2 4.49Å; F268-I305 HydrophobicContact CE1-CG1 4.38Å; F268-I305 HydrophobicContact CG-CG1 4.41Å; F268-I305 HydrophobicContact CG-CG2 4.22Å; F268-R308 HydrophobicContact CE2-CB 4.45Å; F268-R308 HydrophobicContact CE2-CG 3.72Å; F268-R308 HydrophobicContact CZ-CG 4Å
269	S	93.4	Very high	93.3	Very high	5 Å²	5	41.2 Å²	41.2	4%	0.035	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-52	-38.7	-175	81.1	0	0	0	0	114.8	I246 L265 S271 F272 R275	I246-S269 WeakPolarHBondContact CG2-OG 3.42Å; L265-S269 VanDerWaalsContact O-CB 3.31Å; L265-S269 WeakPolarHBondContact O-CB 3.3Å; L265-S269 PolarHBondContact O-N 3.09Å; S269-S271 PolarHBondContact O-N 2.78Å; S269-S271 VanDerWaalsContact O-N 3.16Å; S269-F272 PolarHBondContact O-N 2.74Å; S269-R275 VanDerWaalsContact O-CA 3.29Å; S269-R275 WeakPolarHBondContact O-CA 3.36Å; S269-R275 WeakPolarHBondContact O-CB 3.48Å
270	P	94.3	Very high	93.4	Very high	59 Å²	59	38.9 Å²	38.9	38%	0.383	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-65.1	-21.5	-179.4	-20.9	35.6	0	0	0	113.2	I267 F268 F272 K297	I267-P270 VanDerWaalsContact O-CD 3.31Å; I267-P270 WeakPolarHBondContact O-CD 3.45Å; F268-P270 VanDerWaalsContact C-N 3.31Å; F268-P270 VanDerWaalsContact O-N 3.17Å; P270-F272 VanDerWaalsContact C-N 3.34Å; P270-K297 WeakPolarHBondContact O-CE 3.34Å; P270-K297 PolarHBondContact O-NZ 2.85Å
271	S	94.6	Very high	93.5	Very high	10 Å²	10	38.7 Å²	38.7	7%	0.07	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-81.6	-9.2	-178.7	-51.5	0	0	0	0	113.5	F268 S269 I296 K297	F268-S271 WeakPolarHBondContact O-CB 3.41Å; F268-S271 PolarHBondContact O-N 3.42Å; S269-S271 PolarHBondContact O-N 2.78Å; S269-S271 VanDerWaalsContact O-N 3.16Å; S271-I296 CarbonylContact O-C 3.54Å; S271-I296 WeakPolarHBondContact O-CA 3.36Å; S271-K297 VanDerWaalsContact O-CG 3.29Å; S271-K297 WeakPolarHBondContact O-CG 3.3Å; S271-K297 PolarHBondContact O-N 2.83Å
272	F	94.1	Very high	93.7	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-95.8	144.8	177.3	-72.2	-101.6	0	0	0	111.2	F268 S269 P270 G274 R275 R276 M277 P278 M293 A294 L295 I296 I305 I309	F268-F272 HydrophobicContact CB-CE2 4.31Å; F268-F272 WeakPolarHBondContact O-CD2 3.3Å; S269-F272 PolarHBondContact O-N 2.74Å; P270-F272 VanDerWaalsContact C-N 3.34Å; F272-G274 PolarHBondContact O-N 3.27Å; F272-R275 WeakPolarHBondContact O-CA 2.99Å; F272-R275 PolarHBondContact O-N 3.15Å; F272-R276 WeakPolarHBondContact CD1-O 3.29Å; F272-M277 HydrophobicContact CD2-CE 3.1Å; F272-M277 HydrophobicContact CE2-CE 2.98Å; F272-M277 HydrophobicContact CG-CE 3.99Å; F272-M277 HydrophobicContact CZ-CE 3.79Å; F272-P278 HydrophobicContact CE1-CG 4.34Å; F272-P278 HydrophobicContact CZ-CG 4.39Å; F272-M293 HydrophobicContact CD1-CG 4.28Å; F272-M293 HydrophobicContact CE1-CG 3.63Å; F272-M293 HydrophobicContact CE1-SD 3.96Å; F272-A294 WeakPolarHBondContact CD1-O 3.44Å; F272-L295 WeakPolarHBondContact CA-O 3.28Å; F272-I296 HydrophobicContact CD1-CG1 4.08Å; F272-I296 HydrophobicContact CE1-CD1 4.2Å; F272-I296 HydrophobicContact CE1-CG1 3.49Å; F272-I296 VanDerWaalsContact CE1-CG1 3.49Å; F272-I296 HydrophobicContact CE2-CG1 4.07Å; F272-I296 HydrophobicContact CZ-CD1 3.9Å; F272-I296 HydrophobicContact CZ-CG1 3.49Å; F272-I296 VanDerWaalsContact CZ-CG1 3.49Å; F272-I305 HydrophobicContact CE2-CG2 3.66Å; F272-I305 HydrophobicContact CZ-CG2 3.74Å; F272-I309 HydrophobicContact CE1-CD1 4.27Å; F272-I309 HydrophobicContact CE2-CD1 4.26Å; F272-I309 HydrophobicContact CZ-CD1 3.43Å; F272-I309 VanDerWaalsContact CZ-CD1 3.43Å
273	V	94.4	Very high	93.8	Very high	32 Å²	32	34.3 Å²	34.3	19%	0.194	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-57.7	132.1	168.2	176.2	0	0	0	0	109.1	R275 R276 A294 L295 K297 E400 E401	V273-R275 PolarHBondContact O-N 3.43Å; V273-R276 PolarHBondContact O-N 3.39Å; V273-R276 VanDerWaalsContact O-N 3.09Å; V273-A294 HydrophobicContact CB-CB 4.45Å; V273-L295 HydrophobicContact CG2-CB 4.17Å; V273-L295 PolarHBondContact N-O 3.03Å; V273-K297 HydrophobicContact CG2-CB 4.36Å; V273-E400 VanDerWaalsContact CB-O 3.25Å; V273-E400 WeakPolarHBondContact CB-O 3.36Å; V273-E400 WeakPolarHBondContact CG1-O 3.44Å; V273-E401 HydrophobicContact CG1-CG 3.97Å
274	G	91.8	Very high	94	Very high	36 Å²	36	28.9 Å²	28.9	37%	0.371	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	60	12	-174.2	0	0	0	0	0	115.1	S247 F272 R276	S247-G274 PolarHBondContact OG-O 2.62Å; F272-G274 PolarHBondContact O-N 3.27Å; G274-R276 PolarHBondContact O-N 2.97Å
275	R	94.3	Very high	94.1	Very high	121 Å²	121	32.7 Å²	32.7	46%	0.457	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	54.4	31.2	-169.6	-54.6	180	179.2	-170.4	-1.3	113.2	I246 S247 S269 F272 V273 M277	I246-R275 WeakPolarHBondContact O-CD 3.37Å; I246-R275 PolarHBondContact O-NH1 2.81Å; S247-R275 WeakPolarHBondContact CB-O 3.49Å; S269-R275 VanDerWaalsContact O-CA 3.29Å; S269-R275 WeakPolarHBondContact O-CA 3.36Å; S269-R275 WeakPolarHBondContact O-CB 3.48Å; F272-R275 WeakPolarHBondContact O-CA 2.99Å; F272-R275 PolarHBondContact O-N 3.15Å; V273-R275 PolarHBondContact O-N 3.43Å; R275-M277 PolarHBondContact O-N 2.85Å
276	R	92.6	Very high	94.2	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.008	18%	0.183	C	C	.	.			trans	-89.2	84.9	-176.2	-68.6	179.4	62.3	81.7	-4.6	110.2	C249 L250 F272 V273 G274 A294 E401 G402 R403 V438	C249-R276 HydrophobicContact CB-CG 3.86Å; C249-R276 PolarHBondContact O-NH1 2.68Å; L250-R276 HydrophobicContact CD2-CB 4.46Å; L250-R276 HydrophobicContact CD2-CG 4.31Å; L250-R276 HydrophobicContact CG-CG 4.24Å; F272-R276 WeakPolarHBondContact CD1-O 3.29Å; V273-R276 PolarHBondContact O-N 3.39Å; V273-R276 VanDerWaalsContact O-N 3.09Å; G274-R276 PolarHBondContact O-N 2.97Å; R276-A294 HydrophobicContact CB-CB 3.72Å; R276-A294 WeakPolarHBondContact O-CB 3.3Å; R276-E401 WeakPolarHBondContact CD-O 3.45Å; R276-E401 PolarHBondContact NE-O 3.37Å; R276-G402 PolarHBondContact NE-O 3.49Å; R276-G402 PolarHBondContact NH2-O 3.49Å; R276-R403 VanDerWaalsContact CZ-CG 3.44Å; R276-V438 VanDerWaalsContact CZ-O 3.28Å; R276-V438 PolarHBondContact NH1-O 3.49Å; R276-V438 PolarHBondContact NH2-O 3.13Å
277	M	90.3	Very high	94.2	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.02	16%	0.162	C	C	.	.			trans	-57.2	158.6	174.7	-62.7	-108	77	0	0	111.6	L265 F268 F272 R275 F279	L265-M277 HydrophobicContact CB-SD 4.05Å; L265-M277 HydrophobicContact CD2-SD 3.78Å; F268-M277 VanDerWaalsContact C-CE 3.48Å; F268-M277 HydrophobicContact CB-CE 3.45Å; F268-M277 VanDerWaalsContact CB-CE 3.45Å; F268-M277 HydrophobicContact CB-SD 4.16Å; F272-M277 HydrophobicContact CD2-CE 3.1Å; F272-M277 HydrophobicContact CE2-CE 2.98Å; F272-M277 HydrophobicContact CG-CE 3.99Å; F272-M277 HydrophobicContact CZ-CE 3.79Å; R275-M277 PolarHBondContact O-N 2.85Å; M277-F279 WeakPolarHBondContact O-CD1 3.48Å; M277-F279 PolarHBondContact O-N 2.92Å
278	P	91.4	Very high	94.5	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.019	14%	0.138	C	C	.	.			trans	-58.9	132.6	172.6	-11.3	20.1	0	0	0	110.8	F272 V291 R292 M293 I309	F272-P278 HydrophobicContact CE1-CG 4.34Å; F272-P278 HydrophobicContact CZ-CG 4.39Å; P278-V291 HydrophobicContact CB-CG1 4.06Å; P278-R292 VanDerWaalsContact CA-O 3.26Å; P278-R292 WeakPolarHBondContact CA-O 3.32Å; P278-M293 HydrophobicContact CB-CB 4.25Å; P278-M293 HydrophobicContact CB-CG 4.11Å; P278-M293 HydrophobicContact CB-SD 4.35Å; P278-M293 HydrophobicContact CG-CB 4.47Å; P278-M293 HydrophobicContact CG-CG 3.79Å; P278-M293 HydrophobicContact CG-SD 3.77Å; P278-I309 HydrophobicContact CB-CG2 4.08Å; P278-I309 HydrophobicContact CG-CB 4.36Å; P278-I309 HydrophobicContact CG-CD1 3.46Å; P278-I309 VanDerWaalsContact CG-CD1 3.46Å; P278-I309 HydrophobicContact CG-CG1 3.86Å; P278-I309 HydrophobicContact CG-CG2 3.59Å
279	F	93.3	Very high	94.8	Very high	6 Å²	6	22.2 Å²	22.2	3%	0.026	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	151.5	174.1	66.4	-88.4	0	0	0	110.6	L250 F254 V255 M277 V291 R292 V438	L250-F279 HydrophobicContact CD2-CD1 3.99Å; L250-F279 HydrophobicContact CD2-CE1 4.2Å; F254-F279 HydrophobicContact CB-CB 4.4Å; F254-F279 HydrophobicContact CD2-CB 3.77Å; F254-F279 HydrophobicContact CG-CB 4.49Å; V255-F279 WeakPolarHBondContact O-CA 3.3Å; M277-F279 WeakPolarHBondContact O-CD1 3.48Å; M277-F279 PolarHBondContact O-N 2.92Å; F279-V291 WeakPolarHBondContact O-CA 3.26Å; F279-V291 WeakPolarHBondContact O-CG1 3.29Å; F279-R292 HydrophobicContact CE1-CB 3.93Å; F279-R292 HydrophobicContact CE2-CB 4.07Å; F279-R292 HydrophobicContact CZ-CB 3.6Å; F279-R292 HydrophobicContact CZ-CG 4.38Å; F279-R292 PolarHBondContact N-O 3.13Å; F279-R292 PolarHBondContact O-N 3.24Å; F279-V438 HydrophobicContact CD2-CG2 4.46Å; F279-V438 HydrophobicContact CE1-CG1 4.18Å; F279-V438 HydrophobicContact CE2-CG1 4.03Å; F279-V438 HydrophobicContact CE2-CG2 3.56Å; F279-V438 HydrophobicContact CZ-CB 4.29Å; F279-V438 HydrophobicContact CZ-CG1 3.38Å; F279-V438 HydrophobicContact CZ-CG2 3.8Å
280	W	97.8	Very high	95	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	136.6	-178.8	173.4	88.9	0	0	0	111.9	E226 I227 T230 A232 W235 V255 W282 S283	E226-W280 HydrophobicContact CG-CH2 3.9Å; E226-W280 HydrophobicContact CG-CZ3 3.91Å; I227-W280 HydrophobicContact CG1-CH2 4.46Å; I227-W280 HydrophobicContact CG1-CZ3 4.32Å; T230-W280 HydrophobicContact CG2-CH2 4.12Å; T230-W280 HydrophobicContact CG2-CZ2 4.21Å; T230-W280 WeakPolarHBondContact OG1-CH2 3.42Å; T230-W280 VanDerWaalsContact OG1-CZ2 3.28Å; T230-W280 WeakPolarHBondContact OG1-CZ2 3.39Å; A232-W280 HydrophobicContact CB-CZ2 3.73Å; W235-W280 HydrophobicContact CD2-CB 4.24Å; W235-W280 AromaticContact CD2-CD1 3.48Å; W235-W280 VanDerWaalsContact CD2-CD1 3.48Å; W235-W280 HydrophobicContact CD2-CG 4.03Å; W235-W280 AromaticContact CE2-CD1 3.66Å; W235-W280 HydrophobicContact CE3-CB 3.5Å; W235-W280 VanDerWaalsContact CE3-CB 3.5Å; W235-W280 AromaticContact CE3-CD1 3.62Å; W235-W280 AromaticContact CE3-CG 3.8Å; W235-W280 HydrophobicContact CE3-CG 3.8Å; W235-W280 HydrophobicContact CH2-CB 4.46Å; W235-W280 HydrophobicContact CZ3-CB 3.61Å; W235-W280 AromaticContact CZ3-CD1 3.9Å; W235-W280 HydrophobicContact CZ3-CG 4.14Å; V255-W280 HydrophobicContact CB-CB 3.83Å; V255-W280 HydrophobicContact CB-CD2 4.26Å; V255-W280 HydrophobicContact CB-CE3 3.79Å; V255-W280 HydrophobicContact CB-CG 4.34Å; V255-W280 HydrophobicContact CG1-CB 3.66Å; V255-W280 HydrophobicContact CG1-CD2 3.92Å; V255-W280 HydrophobicContact CG1-CE3 3.85Å; V255-W280 HydrophobicContact CG1-CG 3.89Å; V255-W280 HydrophobicContact CG2-CE3 4Å; V255-W280 HydrophobicContact CG2-CZ3 4.46Å; V255-W280 PolarHBondContact O-N 3.04Å; W280-W282 VanDerWaalsContact CZ2-CA 3.48Å; W280-W282 PolarHBondContact NE1-O 2.94Å; W280-S283 PolarHBondContact NE1-OG 2.88Å
281	C	97.4	Very high	95.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-51.5	172	-69.6	0	0	0	0	111	L290 R292 K433 E434	C281-L290 HydrophobicContact CB-CB 4.37Å; C281-L290 HydrophobicContact CB-CD2 4.22Å; C281-L290 HydrophobicContact CB-CG 4.16Å; C281-L290 WeakPolarHBondContact CB-O 3.38Å; C281-L290 PolarHBondContact N-O 3.11Å; C281-R292 WeakPolarHBondContact SG-CD 3.26Å; C281-R292 WeakPolarHBondContact SG-CG 3.22Å; C281-K433 PolarHBondContact O-NZ 3.44Å; C281-E434 VanDerWaalsContact CB-OE1 3.26Å; C281-E434 WeakPolarHBondContact CB-OE1 3.37Å; C281-E434 PolarHBondContact SG-OE1 3.28Å; C281-E434 PolarHBondContact SG-OE2 3.38Å; C281-E434 VanDerWaalsContact SG-OE2 3.34Å
282	W	98.2	Very high	95.3	Very high	10 Å²	10	18.8 Å²	18.8	4%	0.038	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	157.6	-171	-177.9	86	0	0	0	111.8	W280 H284 A289 L290 Q414 M417 D418 F421	W280-W282 VanDerWaalsContact CZ2-CA 3.48Å; W280-W282 PolarHBondContact NE1-O 2.94Å; W282-H284 HydrophobicContact CE3-CB 4.45Å; W282-H284 VanDerWaalsContact CH2-CA 3.42Å; W282-H284 HydrophobicContact CH2-CB 3.54Å; W282-H284 AromaticContact CH2-CD2 3.51Å; W282-H284 AromaticContact CH2-CG 3.86Å; W282-H284 HydrophobicContact CZ3-CB 3.48Å; W282-H284 VanDerWaalsContact CZ3-CB 3.48Å; W282-A289 WeakPolarHBondContact O-CA 3.02Å; W282-L290 PolarHBondContact N-O 3.13Å; W282-L290 PolarHBondContact O-N 3.48Å; W282-Q414 HydrophobicContact CB-CG 3.68Å; W282-Q414 HydrophobicContact CD2-CG 4.41Å; W282-Q414 HydrophobicContact CG-CG 3.83Å; W282-M417 HydrophobicContact CH2-CB 3.64Å; W282-M417 HydrophobicContact CH2-CE 3.91Å; W282-M417 HydrophobicContact CH2-CG 4.38Å; W282-M417 HydrophobicContact CH2-SD 3.89Å; W282-M417 HydrophobicContact CZ2-CB 4.13Å; W282-M417 HydrophobicContact CZ3-CB 4.23Å; W282-M417 HydrophobicContact CZ3-CE 3.99Å; W282-M417 HydrophobicContact CZ3-SD 3.64Å; W282-D418 HydrophobicContact CZ2-CB 4.08Å; W282-D418 PolarHBondContact NE1-OD2 2.87Å; W282-F421 AromaticContact CD1-CE2 3.81Å
283	S	97.1	Very high	95.3	Very high	5 Å²	5	18.8 Å²	18.8	4%	0.035	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.8	172.6	-74.1	0	0	0	0	111.3	A232 W280 S288	A232-S283 WeakPolarHBondContact CB-OG 3.48Å; W280-S283 PolarHBondContact NE1-OG 2.88Å; S283-S288 WeakPolarHBondContact CA-O 3.4Å
284	H	96.3	Very high	95.4	Very high	29 Å²	29	17.4 Å²	17.4	13%	0.134	10%	0.102	C	C	.	.			trans	-81.2	155.8	171.4	-170.6	-130.6	0	0	0	110.9	W282 N286 G287 S288 D389 M417	W282-H284 HydrophobicContact CE3-CB 4.45Å; W282-H284 VanDerWaalsContact CH2-CA 3.42Å; W282-H284 HydrophobicContact CH2-CB 3.54Å; W282-H284 AromaticContact CH2-CD2 3.51Å; W282-H284 AromaticContact CH2-CG 3.86Å; W282-H284 HydrophobicContact CZ3-CB 3.48Å; W282-H284 VanDerWaalsContact CZ3-CB 3.48Å; H284-N286 WeakPolarHBondContact CB-OD1 3.34Å; H284-N286 PolarHBondContact ND1-ND2 2.64Å; H284-N286 PolarHBondContact ND1-OD1 2.64Å; H284-N286 PolarHBondContact O-N 2.87Å; H284-N286 VanDerWaalsContact O-N 3.11Å; H284-G287 PolarHBondContact O-N 3.24Å; H284-S288 PolarHBondContact N-O 3.29Å; H284-D389 IonicContact CE1-OD1 3.35Å; H284-D389 PolarHBondContact CE1-OD1 2.94Å; H284-D389 IonicContact NE2-OD1 3.78Å; H284-M417 HydrophobicContact CB-CE 4.41Å
285	S	94.1	Very high	95.4	Very high	113 Å²	113	18 Å²	18	79%	0.79	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.9	178.6	65.2	0	0	0	0	114.3	G287	S285-G287 VanDerWaalsContact C-N 3.26Å; S285-G287 PolarHBondContact O-N 3.28Å
286	N	94.6	Very high	95.4	Very high	20 Å²	20	12.8 Å²	12.8	11%	0.107	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-5	173.4	69	2.5	0	0	0	113.8	H284 S288 L388	H284-N286 WeakPolarHBondContact CB-OD1 3.34Å; H284-N286 PolarHBondContact ND1-ND2 2.64Å; H284-N286 PolarHBondContact ND1-OD1 2.64Å; H284-N286 PolarHBondContact O-N 2.87Å; H284-N286 VanDerWaalsContact O-N 3.11Å; N286-S288 WeakPolarHBondContact OD1-CB 3.44Å; N286-S288 PolarHBondContact OD1-N 3.37Å; N286-S288 PolarHBondContact OD1-OG 3.1Å; N286-S288 VanDerWaalsContact OD1-OG 3.1Å; N286-L388 PolarHBondContact ND2-O 3.26Å
287	G	94.6	Very high	95.3	Very high	11 Å²	11	19.2 Å²	19.2	11%	0.113	11%	0.106	C	C	.	.	S	Bend	trans	93.8	-6.4	-177.7	0	0	0	0	0	115.6	H284 S285 H317	H284-G287 PolarHBondContact O-N 3.24Å; S285-G287 VanDerWaalsContact C-N 3.26Å; S285-G287 PolarHBondContact O-N 3.28Å; G287-H317 PolarHBondContact O-CD2 3.26Å
288	S	97.4	Very high	95	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.			trans	-67.3	137.6	172.9	-56.6	0	0	0	0	110.7	S283 H284 N286 H317 L388 R392	S283-S288 WeakPolarHBondContact CA-O 3.4Å; H284-S288 PolarHBondContact N-O 3.29Å; N286-S288 WeakPolarHBondContact OD1-CB 3.44Å; N286-S288 PolarHBondContact OD1-N 3.37Å; N286-S288 PolarHBondContact OD1-OG 3.1Å; N286-S288 VanDerWaalsContact OD1-OG 3.1Å; S288-H317 PolarHBondContact N-CD2 2.77Å; S288-H317 PolarHBondContact N-NE2 2.87Å; S288-H317 PolarHBondContact OG-NE2 3.39Å; S288-L388 PolarHBondContact OG-O 3.39Å; S288-R392 VanDerWaalsContact OG-CA 3.31Å; S288-R392 WeakPolarHBondContact OG-CA 3.41Å; S288-R392 PolarHBondContact OG-O 2.98Å
289	A	98.3	Very high	94.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.6	-176.1	0	0	0	0	0	111.8	W235 W282 V291 S394 V395	W235-A289 HydrophobicContact CH2-CB 4.11Å; W235-A289 HydrophobicContact CZ2-CB 3.29Å; W282-A289 WeakPolarHBondContact O-CA 3.02Å; A289-V291 HydrophobicContact CB-CG2 4.42Å; A289-S394 PolarHBondContact N-OG 2.82Å; A289-S394 CarbonylContact O-C 3.52Å; A289-S394 VanDerWaalsContact O-CA 3.24Å; A289-S394 WeakPolarHBondContact O-CA 3.45Å; A289-S394 WeakPolarHBondContact O-CB 3.35Å; A289-V395 PolarHBondContact O-N 3.32Å
290	L	98.6	Very high	94.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.1	168.5	-176.3	65.4	0	0	0	108.9	C281 W282 V395 L397 A410 V413 Q414	C281-L290 HydrophobicContact CB-CB 4.37Å; C281-L290 HydrophobicContact CB-CD2 4.22Å; C281-L290 HydrophobicContact CB-CG 4.16Å; C281-L290 WeakPolarHBondContact CB-O 3.38Å; C281-L290 PolarHBondContact N-O 3.11Å; W282-L290 PolarHBondContact N-O 3.13Å; W282-L290 PolarHBondContact O-N 3.48Å; L290-V395 WeakPolarHBondContact CA-O 3.5Å; L290-V395 HydrophobicContact CD1-CB 4.04Å; L290-V395 HydrophobicContact CD1-CG1 3.92Å; L290-L397 HydrophobicContact CD1-CD1 4.04Å; L290-L397 HydrophobicContact CD1-CD2 4.21Å; L290-L397 HydrophobicContact CD1-CG 3.9Å; L290-A410 HydrophobicContact CD2-CB 4.13Å; L290-V413 HydrophobicContact CD2-CB 4.08Å; L290-V413 HydrophobicContact CD2-CG1 3.92Å; L290-Q414 HydrophobicContact CD2-CG 4.48Å
291	V	98.3	Very high	93.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143	-174	-178.2	0	0	0	0	108.8	W235 P278 F279 A289 I313 V395 V396 L397	W235-V291 HydrophobicContact CH2-CG2 3.48Å; W235-V291 VanDerWaalsContact CH2-CG2 3.48Å; W235-V291 HydrophobicContact CZ2-CG2 4.28Å; W235-V291 HydrophobicContact CZ3-CG2 4.19Å; P278-V291 HydrophobicContact CB-CG1 4.06Å; F279-V291 WeakPolarHBondContact O-CA 3.26Å; F279-V291 WeakPolarHBondContact O-CG1 3.29Å; A289-V291 HydrophobicContact CB-CG2 4.42Å; V291-I313 HydrophobicContact CB-CD1 4.42Å; V291-I313 HydrophobicContact CG1-CD1 4.14Å; V291-I313 HydrophobicContact CG2-CD1 4.14Å; V291-I313 HydrophobicContact CG2-CG1 4.46Å; V291-V395 PolarHBondContact N-O 3.17Å; V291-V396 HydrophobicContact CB-CG2 4.09Å; V291-V396 HydrophobicContact CG1-CG2 4.39Å; V291-V396 CarbonylContact O-C 3.53Å; V291-V396 WeakPolarHBondContact O-CA 3.5Å; V291-L397 PolarHBondContact O-N 2.8Å
292	R	96.3	Very high	93.5	Very high	1 Å²	1	41 Å²	41	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	142.6	171.7	-74	171.5	70.2	-179.9	-0.2	110.3	P278 F279 C281 L397 G402 S406 C407 A410 E434	P278-R292 VanDerWaalsContact CA-O 3.26Å; P278-R292 WeakPolarHBondContact CA-O 3.32Å; F279-R292 HydrophobicContact CE1-CB 3.93Å; F279-R292 HydrophobicContact CE2-CB 4.07Å; F279-R292 HydrophobicContact CZ-CB 3.6Å; F279-R292 HydrophobicContact CZ-CG 4.38Å; F279-R292 PolarHBondContact N-O 3.13Å; F279-R292 PolarHBondContact O-N 3.24Å; C281-R292 WeakPolarHBondContact SG-CD 3.26Å; C281-R292 WeakPolarHBondContact SG-CG 3.22Å; R292-L397 HydrophobicContact CG-CB 4.17Å; R292-L397 HydrophobicContact CG-CD1 4.11Å; R292-G402 PolarHBondContact NH2-O 3.42Å; R292-S406 VanDerWaalsContact CZ-C 3.46Å; R292-S406 VanDerWaalsContact NE-CB 3.35Å; R292-S406 PolarHBondContact NE-O 3.07Å; R292-S406 PolarHBondContact NE-OG 2.77Å; R292-S406 VanDerWaalsContact NE-OG 3.08Å; R292-S406 PolarHBondContact NH2-OG 3.43Å; R292-C407 VanDerWaalsContact NH2-N 3.19Å; R292-C407 PolarHBondContact NH2-SG 2.91Å; R292-A410 HydrophobicContact CG-CB 4.37Å; R292-E434 PolarHBondContact NH1-O 3Å; R292-E434 IonicContact NH1-OE2 2.85Å; R292-E434 PolarHBondContact NH1-OE2 3.08Å; R292-E434 VanDerWaalsContact NH1-OE2 3.15Å
293	M	94.5	Very high	93.2	Very high	1 Å²	1	51 Å²	51	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	131.2	-176.1	-172.5	177	77.7	0	0	110.3	F272 P278 I309 V396 L397 Q398 E399	F272-M293 HydrophobicContact CD1-CG 4.28Å; F272-M293 HydrophobicContact CE1-CG 3.63Å; F272-M293 HydrophobicContact CE1-SD 3.96Å; P278-M293 HydrophobicContact CB-CB 4.25Å; P278-M293 HydrophobicContact CB-CG 4.11Å; P278-M293 HydrophobicContact CB-SD 4.35Å; P278-M293 HydrophobicContact CG-CB 4.47Å; P278-M293 HydrophobicContact CG-CG 3.79Å; P278-M293 HydrophobicContact CG-SD 3.77Å; M293-I309 HydrophobicContact SD-CD1 4.23Å; M293-I309 HydrophobicContact SD-CG2 4.27Å; M293-V396 HydrophobicContact CB-CG1 3.71Å; M293-V396 HydrophobicContact CE-CG1 4.1Å; M293-V396 HydrophobicContact SD-CG1 4.28Å; M293-L397 PolarHBondContact N-O 3.25Å; M293-Q398 HydrophobicContact CE-CG 4.25Å; M293-Q398 WeakPolarHBondContact O-CA 3.16Å; M293-E399 PolarHBondContact O-N 3.04Å
294	A	95.3	Very high	93.1	Very high	2 Å²	2	57.8 Å²	57.8	2%	0.017	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	164.8	170	0	0	0	0	0	111.4	F272 V273 R276 E399	F272-A294 WeakPolarHBondContact CD1-O 3.44Å; V273-A294 HydrophobicContact CB-CB 4.45Å; R276-A294 HydrophobicContact CB-CB 3.72Å; R276-A294 WeakPolarHBondContact O-CB 3.3Å; A294-E399 WeakPolarHBondContact CA-O 3.47Å
295	L	93.8	Very high	93	Very high	49 Å²	49	56.4 Å²	56.4	26%	0.257	28%	0.281	S	S	.	.			trans	-62.7	143.7	175.3	-70.3	-178.4	0	0	0	112.4	F272 V273 Q398 E399 E400	F272-L295 WeakPolarHBondContact CA-O 3.28Å; V273-L295 HydrophobicContact CG2-CB 4.17Å; V273-L295 PolarHBondContact N-O 3.03Å; L295-Q398 HydrophobicContact CD2-CG 3.61Å; L295-E399 PolarHBondContact N-O 3.09Å; L295-E400 HydrophobicContact CD1-CB 4.08Å; L295-E400 HydrophobicContact CD1-CG 4.26Å; L295-E400 PolarHBondContact N-O 3.29Å
296	I	93.7	Very high	93	Very high	11 Å²	11	52.7 Å²	52.7	6%	0.056	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-85.8	111.2	170	-57.3	164.8	0	0	0	107.4	S271 F272 Q302 I305 D306	S271-I296 CarbonylContact O-C 3.54Å; S271-I296 WeakPolarHBondContact O-CA 3.36Å; F272-I296 HydrophobicContact CD1-CG1 4.08Å; F272-I296 HydrophobicContact CE1-CD1 4.2Å; F272-I296 HydrophobicContact CE1-CG1 3.49Å; F272-I296 VanDerWaalsContact CE1-CG1 3.49Å; F272-I296 HydrophobicContact CE2-CG1 4.07Å; F272-I296 HydrophobicContact CZ-CD1 3.9Å; F272-I296 HydrophobicContact CZ-CG1 3.49Å; F272-I296 VanDerWaalsContact CZ-CG1 3.49Å; I296-Q302 HydrophobicContact CB-CG 4.15Å; I296-Q302 HydrophobicContact CD1-CG 4.32Å; I296-Q302 HydrophobicContact CG2-CB 4.19Å; I296-Q302 HydrophobicContact CG2-CG 4.35Å; I296-I305 HydrophobicContact CD1-CB 4.15Å; I296-I305 HydrophobicContact CD1-CG2 3.96Å; I296-I305 HydrophobicContact CG2-CD1 4.25Å; I296-D306 HydrophobicContact CD1-CB 4.22Å
297	K	90.6	Very high	93	Very high	137 Å²	137	57.8 Å²	57.8	60%	0.596	28%	0.275	S	S	*	.			trans	-77.3	-21.8	-178.7	61.2	172.2	179.8	-173.6	0	113.6	P270 S271 V273 V299	P270-K297 WeakPolarHBondContact O-CE 3.34Å; P270-K297 PolarHBondContact O-NZ 2.85Å; S271-K297 VanDerWaalsContact O-CG 3.29Å; S271-K297 WeakPolarHBondContact O-CG 3.3Å; S271-K297 PolarHBondContact O-N 2.83Å; V273-K297 HydrophobicContact CG2-CB 4.36Å; K297-V299 PolarHBondContact O-N 2.73Å
298	D	83.9	Confident	93	Very high	48 Å²	48	62.1 Å²	62.1	26%	0.257	29%	0.288	S	S	.	.			trans	-83.7	96.7	178.5	-177.5	-10.2	0	0	0	110.2	L300 Q301 Q302	D298-L300 PolarHBondContact O-N 2.95Å; D298-L300 PolarHBondContact OD1-N 2.86Å; D298-Q301 HydrophobicContact CB-CB 4.41Å; D298-Q301 PolarHBondContact O-N 3.43Å; D298-Q301 PolarHBondContact OD1-N 2.82Å; D298-Q301 WeakPolarHBondContact OD2-CB 3.32Å; D298-Q301 VanDerWaalsContact OD2-CG 3.25Å; D298-Q301 WeakPolarHBondContact OD2-CG 3.24Å; D298-Q302 WeakPolarHBondContact O-CA 3.12Å; D298-Q302 VanDerWaalsContact O-CB 3.31Å; D298-Q302 WeakPolarHBondContact O-CB 3.22Å; D298-Q302 PolarHBondContact O-N 3.37Å
299	V	83.6	Confident	92.9	Very high	111 Å²	111	62.2 Å²	62.2	67%	0.673	29%	0.289	S	S	*	.	H	α-helix	trans	-60.8	-32.4	-177.9	-176.5	0	0	0	0	112.3	K297	K297-V299 PolarHBondContact O-N 2.73Å
300	L	86.3	Confident	92.8	Very high	165 Å²	165	63.4 Å²	63.4	86%	0.864	30%	0.297	S	S	*	.	H	α-helix	trans	-73	-39.5	-178.1	-64.6	175.4	0	0	0	111.2	D298	D298-L300 PolarHBondContact O-N 2.95Å; D298-L300 PolarHBondContact OD1-N 2.86Å
301	Q	86.9	Confident	92.8	Very high	81 Å²	81	67.1 Å²	67.1	38%	0.379	32%	0.317	S	S	.	.	H	α-helix	trans	-92.1	-10.2	178.9	-62.6	-163	-1.3	0	0	113.9	D298 R303 K304 I305	D298-Q301 HydrophobicContact CB-CB 4.41Å; D298-Q301 PolarHBondContact O-N 3.43Å; D298-Q301 PolarHBondContact OD1-N 2.82Å; D298-Q301 WeakPolarHBondContact OD2-CB 3.32Å; D298-Q301 VanDerWaalsContact OD2-CG 3.25Å; D298-Q301 WeakPolarHBondContact OD2-CG 3.24Å; Q301-R303 PolarHBondContact O-N 3.04Å; Q301-K304 PolarHBondContact O-N 3.41Å; Q301-I305 HydrophobicContact CB-CD1 3.69Å; Q301-I305 HydrophobicContact CB-CG1 4.15Å; Q301-I305 WeakPolarHBondContact O-CG1 3.37Å; Q301-I305 PolarHBondContact O-N 3.11Å
302	Q	91.6	Very high	92.7	Very high	67 Å²	67	67.2 Å²	67.2	31%	0.313	32%	0.318	S	S	.	.	H	α-helix	trans	-46.7	-62.1	-174.7	-177.2	172.7	10.8	0	0	111.2	I296 D298 K304 I305 D306	I296-Q302 HydrophobicContact CB-CG 4.15Å; I296-Q302 HydrophobicContact CD1-CG 4.32Å; I296-Q302 HydrophobicContact CG2-CB 4.19Å; I296-Q302 HydrophobicContact CG2-CG 4.35Å; D298-Q302 WeakPolarHBondContact O-CA 3.12Å; D298-Q302 VanDerWaalsContact O-CB 3.31Å; D298-Q302 WeakPolarHBondContact O-CB 3.22Å; D298-Q302 PolarHBondContact O-N 3.37Å; Q302-K304 VanDerWaalsContact C-N 3.28Å; Q302-K304 PolarHBondContact O-N 3.04Å; Q302-I305 PolarHBondContact O-N 3.1Å; Q302-D306 WeakPolarHBondContact O-CB 3.42Å; Q302-D306 PolarHBondContact O-N 2.92Å
303	R	92.5	Very high	92.8	Very high	220 Å²	220	67.2 Å²	67.2	83%	0.83	32%	0.318	S	S	*	.	H	α-helix	trans	-54.2	-41.8	-177.8	-68	-176.4	-176	171.9	1.5	113.3	Q301 Q307	Q301-R303 PolarHBondContact O-N 3.04Å; R303-Q307 VanDerWaalsContact O-CB 3.24Å; R303-Q307 WeakPolarHBondContact O-CB 3.27Å; R303-Q307 PolarHBondContact O-N 3.33Å
304	K	93.9	Very high	92.9	Very high	146 Å²	146	68.3 Å²	68.3	64%	0.635	32%	0.324	S	S	*	.	H	α-helix	trans	-67.1	-47.8	-178.6	-178.8	-176.3	177.1	-176.6	0	111.4	Q301 Q302 R308	Q301-K304 PolarHBondContact O-N 3.41Å; Q302-K304 VanDerWaalsContact C-N 3.28Å; Q302-K304 PolarHBondContact O-N 3.04Å; K304-R308 WeakPolarHBondContact O-CB 3.47Å; K304-R308 PolarHBondContact O-N 2.84Å
305	I	93.9	Very high	93	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-65.8	-44.7	179.6	-62.3	169.1	0	0	0	109.4	F268 F272 I296 Q301 Q302 Q307 R308 I309	F268-I305 HydrophobicContact CB-CG2 4.29Å; F268-I305 HydrophobicContact CD1-CD1 4.41Å; F268-I305 HydrophobicContact CD1-CG1 3.97Å; F268-I305 HydrophobicContact CD2-CG2 4.49Å; F268-I305 HydrophobicContact CE1-CG1 4.38Å; F268-I305 HydrophobicContact CG-CG1 4.41Å; F268-I305 HydrophobicContact CG-CG2 4.22Å; F272-I305 HydrophobicContact CE2-CG2 3.66Å; F272-I305 HydrophobicContact CZ-CG2 3.74Å; I296-I305 HydrophobicContact CD1-CB 4.15Å; I296-I305 HydrophobicContact CD1-CG2 3.96Å; I296-I305 HydrophobicContact CG2-CD1 4.25Å; Q301-I305 HydrophobicContact CB-CD1 3.69Å; Q301-I305 HydrophobicContact CB-CG1 4.15Å; Q301-I305 WeakPolarHBondContact O-CG1 3.37Å; Q301-I305 PolarHBondContact O-N 3.11Å; Q302-I305 PolarHBondContact O-N 3.1Å; I305-Q307 PolarHBondContact O-N 2.72Å; I305-R308 WeakPolarHBondContact O-CB 3.33Å; I305-R308 PolarHBondContact O-N 3.47Å; I305-R308 VanDerWaalsContact O-N 3.16Å; I305-I309 HydrophobicContact CG2-CD1 3.56Å; I305-I309 HydrophobicContact CG2-CG1 4.45Å; I305-I309 WeakPolarHBondContact O-CD1 3.43Å; I305-I309 WeakPolarHBondContact O-CG1 3.19Å; I305-I309 PolarHBondContact O-N 2.61Å
306	D	93.9	Very high	93.2	Very high	36 Å²	36	71.3 Å²	71.3	19%	0.193	34%	0.336	C	S	.	.	H	α-helix	trans	-58.3	-48.2	179	-136.1	34.8	0	0	0	111.5	I296 Q302 R308 I309 C310 K325	I296-D306 HydrophobicContact CD1-CB 4.22Å; Q302-D306 WeakPolarHBondContact O-CB 3.42Å; Q302-D306 PolarHBondContact O-N 2.92Å; D306-R308 PolarHBondContact O-N 3.41Å; D306-I309 PolarHBondContact O-N 2.95Å; D306-C310 WeakPolarHBondContact O-CB 3.41Å; D306-C310 PolarHBondContact O-N 3.48Å; D306-C310 PolarHBondContact O-SG 3.43Å; D306-K325 IonicContact OD1-NZ 3.64Å; D306-K325 PolarHBondContact OD1-NZ 2.86Å; D306-K325 IonicContact OD2-NZ 2.74Å; D306-K325 PolarHBondContact OD2-NZ 2.95Å
307	Q	94.8	Very high	93.3	Very high	126 Å²	126	71 Å²	71	59%	0.589	33%	0.334	S	S	*	.	H	α-helix	trans	-62.4	-41.6	176.5	-171.3	-177.6	11.8	0	0	111.6	R303 I305 I309 N311	R303-Q307 VanDerWaalsContact O-CB 3.24Å; R303-Q307 WeakPolarHBondContact O-CB 3.27Å; R303-Q307 PolarHBondContact O-N 3.33Å; I305-Q307 PolarHBondContact O-N 2.72Å; Q307-I309 VanDerWaalsContact C-N 3.34Å; Q307-I309 PolarHBondContact O-N 3.15Å; Q307-N311 VanDerWaalsContact O-CB 3.23Å; Q307-N311 WeakPolarHBondContact O-CB 3.24Å; Q307-N311 PolarHBondContact O-N 2.81Å; Q307-N311 PolarHBondContact O-ND2 2.95Å
308	R	95.6	Very high	93.4	Very high	102 Å²	102	68.5 Å²	68.5	39%	0.385	33%	0.332	S	S	.	.	H	α-helix	trans	-62.1	-42.3	177.7	-179.1	58.9	173	-174.4	0.5	111.8	L260 D264 F268 K304 I305 D306 A312	L260-R308 HydrophobicContact CD2-CG 4.26Å; D264-R308 IonicContact OD2-CZ 3.51Å; D264-R308 IonicContact OD2-NE 3.39Å; D264-R308 PolarHBondContact OD2-NE 3.41Å; D264-R308 IonicContact OD2-NH2 3.64Å; D264-R308 PolarHBondContact OD2-NH2 2.92Å; F268-R308 HydrophobicContact CE2-CB 4.45Å; F268-R308 HydrophobicContact CE2-CG 3.72Å; F268-R308 HydrophobicContact CZ-CG 4Å; K304-R308 WeakPolarHBondContact O-CB 3.47Å; K304-R308 PolarHBondContact O-N 2.84Å; I305-R308 WeakPolarHBondContact O-CB 3.33Å; I305-R308 PolarHBondContact O-N 3.47Å; I305-R308 VanDerWaalsContact O-N 3.16Å; D306-R308 PolarHBondContact O-N 3.41Å; R308-A312 PolarHBondContact O-N 3.42Å
309	I	95.5	Very high	93.9	Very high	3 Å²	3	72.3 Å²	72.3	2%	0.015	35%	0.348	C	S	.	.	H	α-helix	trans	-68.4	-49.6	178.4	-70.6	160.2	0	0	0	110.7	F272 P278 M293 I305 D306 Q307 N311 A312 I313	F272-I309 HydrophobicContact CE1-CD1 4.27Å; F272-I309 HydrophobicContact CE2-CD1 4.26Å; F272-I309 HydrophobicContact CZ-CD1 3.43Å; F272-I309 VanDerWaalsContact CZ-CD1 3.43Å; P278-I309 HydrophobicContact CB-CG2 4.08Å; P278-I309 HydrophobicContact CG-CB 4.36Å; P278-I309 HydrophobicContact CG-CD1 3.46Å; P278-I309 VanDerWaalsContact CG-CD1 3.46Å; P278-I309 HydrophobicContact CG-CG1 3.86Å; P278-I309 HydrophobicContact CG-CG2 3.59Å; M293-I309 HydrophobicContact SD-CD1 4.23Å; M293-I309 HydrophobicContact SD-CG2 4.27Å; I305-I309 HydrophobicContact CG2-CD1 3.56Å; I305-I309 HydrophobicContact CG2-CG1 4.45Å; I305-I309 WeakPolarHBondContact O-CD1 3.43Å; I305-I309 WeakPolarHBondContact O-CG1 3.19Å; I305-I309 PolarHBondContact O-N 2.61Å; D306-I309 PolarHBondContact O-N 2.95Å; Q307-I309 VanDerWaalsContact C-N 3.34Å; Q307-I309 PolarHBondContact O-N 3.15Å; I309-N311 VanDerWaalsContact C-N 3.31Å; I309-N311 PolarHBondContact O-N 3.37Å; I309-A312 WeakPolarHBondContact O-CB 3Å; I309-A312 PolarHBondContact O-N 2.83Å; I309-I313 HydrophobicContact CG2-CD1 3.82Å; I309-I313 HydrophobicContact CG2-CG1 4.47Å; I309-I313 WeakPolarHBondContact O-CG1 3.33Å; I309-I313 PolarHBondContact O-N 3.26Å
310	C	96.5	Very high	94.4	Very high	24 Å²	24	74.6 Å²	74.6	16%	0.162	35%	0.345	C	S	.	.	H	α-helix	trans	-58.9	-45.7	179.2	-62.8	0	0	0	0	110.8	D306 A312 I313 T314 V323 K325	D306-C310 WeakPolarHBondContact O-CB 3.41Å; D306-C310 PolarHBondContact O-N 3.48Å; D306-C310 PolarHBondContact O-SG 3.43Å; C310-A312 PolarHBondContact O-N 3.39Å; C310-I313 PolarHBondContact O-N 3.22Å; C310-I313 VanDerWaalsContact O-N 3.11Å; C310-T314 WeakPolarHBondContact O-CB 3.39Å; C310-T314 PolarHBondContact O-N 3Å; C310-T314 PolarHBondContact O-OG1 2.91Å; C310-T314 VanDerWaalsContact O-OG1 3.1Å; C310-V323 HydrophobicContact CB-CG2 4.48Å; C310-K325 WeakPolarHBondContact SG-CE 3.49Å; C310-K325 PolarHBondContact SG-NZ 2.84Å
311	N	97.3	Very high	94.8	Very high	78 Å²	78	67.8 Å²	67.8	42%	0.417	31%	0.311	S	S	.	.	H	α-helix	trans	-58.7	-35	176.2	-73.8	-14.2	0	0	0	112.8	Q307 I309 K315	Q307-N311 VanDerWaalsContact O-CB 3.23Å; Q307-N311 WeakPolarHBondContact O-CB 3.24Å; Q307-N311 PolarHBondContact O-N 2.81Å; Q307-N311 PolarHBondContact O-ND2 2.95Å; I309-N311 VanDerWaalsContact C-N 3.31Å; I309-N311 PolarHBondContact O-N 3.37Å; N311-K315 WeakPolarHBondContact O-CB 3.27Å; N311-K315 WeakPolarHBondContact O-CG 3.46Å; N311-K315 PolarHBondContact O-N 3.17Å
312	A	97.6	Very high	95.1	Very high	3 Å²	3	69.7 Å²	69.7	3%	0.025	32%	0.324	C	S	.	.	H	α-helix	trans	-72.7	-38.8	176.6	0	0	0	0	0	112.7	P257 S259 L260 R308 I309 C310 K315 S316	P257-A312 HydrophobicContact CB-CB 3.88Å; P257-A312 HydrophobicContact CG-CB 4.17Å; S259-A312 WeakPolarHBondContact OG-CA 3.31Å; S259-A312 WeakPolarHBondContact OG-CB 3.45Å; L260-A312 HydrophobicContact CD1-CB 4.02Å; L260-A312 HydrophobicContact CD2-CB 3.63Å; L260-A312 HydrophobicContact CG-CB 3.49Å; L260-A312 VanDerWaalsContact CG-CB 3.49Å; R308-A312 PolarHBondContact O-N 3.42Å; I309-A312 WeakPolarHBondContact O-CB 3Å; I309-A312 PolarHBondContact O-N 2.83Å; C310-A312 PolarHBondContact O-N 3.39Å; A312-K315 PolarHBondContact O-N 3.41Å; A312-S316 PolarHBondContact O-N 3.34Å; A312-S316 VanDerWaalsContact O-N 3.13Å; A312-S316 PolarHBondContact O-OG 3.46Å
313	I	97.6	Very high	95.4	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-65.8	-46.5	174.7	-62.7	168.6	0	0	0	109.9	W235 P257 V291 I309 C310 K315 S316 H317 V323 V396	W235-I313 HydrophobicContact CH2-CG1 4.24Å; W235-I313 HydrophobicContact CH2-CG2 4.45Å; P257-I313 HydrophobicContact CG-CG1 4.12Å; V291-I313 HydrophobicContact CB-CD1 4.42Å; V291-I313 HydrophobicContact CG1-CD1 4.14Å; V291-I313 HydrophobicContact CG2-CD1 4.14Å; V291-I313 HydrophobicContact CG2-CG1 4.46Å; I309-I313 HydrophobicContact CG2-CD1 3.82Å; I309-I313 HydrophobicContact CG2-CG1 4.47Å; I309-I313 WeakPolarHBondContact O-CG1 3.33Å; I309-I313 PolarHBondContact O-N 3.26Å; C310-I313 PolarHBondContact O-N 3.22Å; C310-I313 VanDerWaalsContact O-N 3.11Å; I313-K315 VanDerWaalsContact C-N 3.31Å; I313-K315 PolarHBondContact O-N 3.23Å; I313-S316 WeakPolarHBondContact O-CA 3.47Å; I313-S316 WeakPolarHBondContact O-CB 3.32Å; I313-S316 PolarHBondContact O-N 3.42Å; I313-H317 PolarHBondContact O-N 3.15Å; I313-V323 HydrophobicContact CB-CG2 3.89Å; I313-V323 HydrophobicContact CG2-CG1 4.5Å; I313-V323 HydrophobicContact CG2-CG2 3.69Å; I313-V396 HydrophobicContact CD1-CG2 3.53Å
314	T	97.5	Very high	95.6	Very high	24 Å²	24	61.9 Å²	61.9	15%	0.147	30%	0.295	C	S	.	.	H	α-helix	trans	-54.6	-45.4	172.4	-64.4	0	0	0	0	111.3	C310 S316 H317 R320 S321	C310-T314 WeakPolarHBondContact O-CB 3.39Å; C310-T314 PolarHBondContact O-N 3Å; C310-T314 PolarHBondContact O-OG1 2.91Å; C310-T314 VanDerWaalsContact O-OG1 3.1Å; T314-S316 PolarHBondContact O-N 2.94Å; T314-H317 WeakPolarHBondContact O-CB 3.48Å; T314-H317 PolarHBondContact O-N 2.94Å; T314-H317 VanDerWaalsContact O-N 3.12Å; T314-R320 HydrophobicContact CG2-CB 4.1Å; T314-R320 WeakPolarHBondContact CG2-O 3.13Å; T314-R320 WeakPolarHBondContact O-CA 3.2Å; T314-S321 WeakPolarHBondContact CG2-O 3.4Å; T314-S321 PolarHBondContact OG1-O 2.8Å
315	K	97.1	Very high	95.8	Very high	110 Å²	110	57.8 Å²	57.8	48%	0.478	28%	0.277	S	S	.	.	H	α-helix	trans	-62.7	-24.3	175.9	-79.3	174	-177.5	-173.3	0	114.1	N311 A312 I313	N311-K315 WeakPolarHBondContact O-CB 3.27Å; N311-K315 WeakPolarHBondContact O-CG 3.46Å; N311-K315 PolarHBondContact O-N 3.17Å; A312-K315 PolarHBondContact O-N 3.41Å; I313-K315 VanDerWaalsContact C-N 3.31Å; I313-K315 PolarHBondContact O-N 3.23Å
316	S	96.5	Very high	96	Very high	5 Å²	5	57.9 Å²	57.9	4%	0.035	28%	0.278	C	S	.	.	H	α-helix	trans	-82.1	-19.3	178.5	-51.2	0	0	0	0	111.9	G234 P257 A312 I313 T314	G234-S316 PolarHBondContact O-OG 2.71Å; P257-S316 WeakPolarHBondContact CB-OG 3.24Å; A312-S316 PolarHBondContact O-N 3.34Å; A312-S316 VanDerWaalsContact O-N 3.13Å; A312-S316 PolarHBondContact O-OG 3.46Å; I313-S316 WeakPolarHBondContact O-CA 3.47Å; I313-S316 WeakPolarHBondContact O-CB 3.32Å; I313-S316 PolarHBondContact O-N 3.42Å; T314-S316 PolarHBondContact O-N 2.94Å
317	H	96.1	Very high	96.1	Very high	3 Å²	3	57.8 Å²	57.8	1%	0.014	28%	0.278	C	S	.	.	S	Bend	trans	-76.2	130.5	173.8	-163.2	-80.1	0	0	0	110.4	G287 S288 I313 T314 Q319 R320 S321 R392	G287-H317 PolarHBondContact O-CD2 3.26Å; S288-H317 PolarHBondContact N-CD2 2.77Å; S288-H317 PolarHBondContact N-NE2 2.87Å; S288-H317 PolarHBondContact OG-NE2 3.39Å; I313-H317 PolarHBondContact O-N 3.15Å; T314-H317 WeakPolarHBondContact O-CB 3.48Å; T314-H317 PolarHBondContact O-N 2.94Å; T314-H317 VanDerWaalsContact O-N 3.12Å; H317-Q319 PolarHBondContact ND1-N 2.63Å; H317-Q319 VanDerWaalsContact ND1-N 3.14Å; H317-Q319 PolarHBondContact O-N 3.46Å; H317-R320 PolarHBondContact O-N 3.1Å; H317-S321 PolarHBondContact CE1-OG 2.85Å; H317-S321 PolarHBondContact ND1-OG 3.23Å; H317-R392 PolarHBondContact NE2-O 3.44Å
318	P	93.5	Very high	96.2	Very high	85 Å²	85	51.8 Å²	51.8	55%	0.552	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-38.2	180	-26.3	34.7	0	0	0	113.6
319	Q	94.1	Very high	96.2	Very high	129 Å²	129	50.2 Å²	50.2	60%	0.603	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	2.9	177.3	-60.9	-179.9	-29.1	0	0	113.9	H317 S321	H317-Q319 PolarHBondContact ND1-N 2.63Å; H317-Q319 VanDerWaalsContact ND1-N 3.14Å; H317-Q319 PolarHBondContact O-N 3.46Å; Q319-S321 PolarHBondContact O-N 2.99Å
320	R	94.5	Very high	96.2	Very high	159 Å²	159	58.1 Å²	58.1	60%	0.6	28%	0.283	S	S	*	.			trans	51.7	40.4	-174.8	-59.8	175.4	177.6	-95.3	-4	113.6	T314 H317	T314-R320 HydrophobicContact CG2-CB 4.1Å; T314-R320 WeakPolarHBondContact CG2-O 3.13Å; T314-R320 WeakPolarHBondContact O-CA 3.2Å; H317-R320 PolarHBondContact O-N 3.1Å
321	S	93.4	Very high	96.1	Very high	22 Å²	22	60.6 Å²	60.6	15%	0.154	30%	0.298	C	S	.	.			trans	-63.1	153.7	176.2	-56.2	0	0	0	0	111.5	T314 H317 Q319 R392	T314-S321 WeakPolarHBondContact CG2-O 3.4Å; T314-S321 PolarHBondContact OG1-O 2.8Å; H317-S321 PolarHBondContact CE1-OG 2.85Å; H317-S321 PolarHBondContact ND1-OG 3.23Å; Q319-S321 PolarHBondContact O-N 2.99Å; S321-R392 VanDerWaalsContact CB-O 3.25Å; S321-R392 WeakPolarHBondContact CB-O 3.45Å; S321-R392 PolarHBondContact OG-O 2.87Å; S321-R392 VanDerWaalsContact OG-O 3.1Å
322	D	94.2	Very high	96.1	Very high	120 Å²	120	57.5 Å²	57.5	64%	0.642	28%	0.281	S	S	*	.			trans	-63.4	169.4	173.4	-74.4	-31.2	0	0	0	112.4	L393	D322-L393 HydrophobicContact CB-CD2 4.27Å
323	V	97.1	Very high	96.1	Very high	30 Å²	30	58 Å²	58	18%	0.182	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.7	-177.7	-178.3	0	0	0	0	109.5	C310 I313 S394 V396	C310-V323 HydrophobicContact CB-CG2 4.48Å; I313-V323 HydrophobicContact CB-CG2 3.89Å; I313-V323 HydrophobicContact CG2-CG1 4.5Å; I313-V323 HydrophobicContact CG2-CG2 3.69Å; V323-S394 CarbonylContact C-O 3.57Å; V323-S394 WeakPolarHBondContact CA-O 3.48Å; V323-V396 HydrophobicContact CG1-CB 4.38Å; V323-V396 HydrophobicContact CG1-CG2 3.51Å
324	Y	98	Very high	96	Very high	94 Å²	94	61.2 Å²	61.2	37%	0.369	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	136.2	169.5	-177.3	-94.2	0	0	0	110.3	L384 I387 S394 V395 V396	Y324-L384 HydrophobicContact CD1-CD2 4.32Å; Y324-L384 HydrophobicContact CE1-CD2 3.97Å; Y324-I387 HydrophobicContact CD1-CD1 3.53Å; Y324-I387 HydrophobicContact CD1-CG2 4.33Å; Y324-I387 HydrophobicContact CD2-CD1 4.01Å; Y324-I387 HydrophobicContact CE1-CD1 3.42Å; Y324-I387 VanDerWaalsContact CE1-CD1 3.42Å; Y324-I387 HydrophobicContact CE2-CD1 3.91Å; Y324-I387 HydrophobicContact CG-CD1 3.82Å; Y324-I387 HydrophobicContact CG-CG2 4.02Å; Y324-S394 PolarHBondContact N-O 3.42Å; Y324-V395 HydrophobicContact CD1-CG1 4.5Å; Y324-V395 HydrophobicContact CD1-CG2 4.36Å; Y324-V395 CarbonylContact O-C 3.56Å; Y324-V395 WeakPolarHBondContact O-CA 3.25Å; Y324-V396 PolarHBondContact O-N 3.02Å
325	K	97.1	Very high	95.9	Very high	59 Å²	59	61.1 Å²	61.1	26%	0.257	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.2	176.4	-61.8	-164.8	174.6	-168.1	0	110.4	D306 C310 V396	D306-K325 IonicContact OD1-NZ 3.64Å; D306-K325 PolarHBondContact OD1-NZ 2.86Å; D306-K325 IonicContact OD2-NZ 2.74Å; D306-K325 PolarHBondContact OD2-NZ 2.95Å; C310-K325 WeakPolarHBondContact SG-CE 3.49Å; C310-K325 PolarHBondContact SG-NZ 2.84Å; K325-V396 WeakPolarHBondContact CA-O 3.33Å; K325-V396 HydrophobicContact CG-CB 4.28Å
326	S	97.5	Very high	95.8	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.014	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.3	172.6	-167.2	0	0	0	0	110	H380 V396 Q398	S326-H380 PolarHBondContact OG-CE1 2.78Å; S326-H380 PolarHBondContact OG-NE2 3.3Å; S326-V396 PolarHBondContact N-O 3.49Å; S326-Q398 PolarHBondContact O-N 3.02Å
327	D	96.6	Very high	95.9	Very high	35 Å²	35	64.8 Å²	64.8	19%	0.187	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	97.1	176.6	-172.3	-20.3	0	0	0	109.3	D329 K330 T331	D327-D329 VanDerWaalsContact C-N 3.32Å; D327-D329 PolarHBondContact O-N 2.77Å; D327-D329 PolarHBondContact OD1-N 3.18Å; D327-K330 HydrophobicContact CB-CD 4.33Å; D327-K330 PolarHBondContact O-N 2.81Å; D327-K330 VanDerWaalsContact OD2-CD 3.32Å; D327-K330 WeakPolarHBondContact OD2-CD 3.26Å; D327-K330 WeakPolarHBondContact OD2-CE 3.47Å; D327-K330 IonicContact OD2-NZ 3.82Å; D327-K330 PolarHBondContact OD2-NZ 2.9Å; D327-T331 PolarHBondContact O-N 3.48Å; D327-T331 PolarHBondContact O-OG1 2.98Å; D327-T331 VanDerWaalsContact O-OG1 3.13Å
328	L	97.4	Very high	96	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-69.2	-31.3	-169.9	-57.8	-174.1	0	0	0	112.6	K330 T331 L332 H380 L397 Q398 L405 S406 V409	L328-K330 PolarHBondContact O-N 2.6Å; L328-T331 PolarHBondContact O-N 2.79Å; L328-L332 HydrophobicContact CB-CD1 4.43Å; L328-L332 HydrophobicContact CD2-CD1 4.03Å; L328-L332 WeakPolarHBondContact O-CB 3.34Å; L328-L332 PolarHBondContact O-N 3.35Å; L328-H380 WeakPolarHBondContact CD2-NE2 3.27Å; L328-L397 HydrophobicContact CD1-CB 4.24Å; L328-L397 HydrophobicContact CD2-CD2 4.34Å; L328-Q398 PolarHBondContact N-O 2.86Å; L328-L405 HydrophobicContact CB-CB 4.28Å; L328-L405 HydrophobicContact CB-CD1 4.45Å; L328-L405 HydrophobicContact CD1-CB 4.16Å; L328-S406 VanDerWaalsContact CD1-CA 3.44Å; L328-V409 HydrophobicContact CD1-CB 4.32Å; L328-V409 HydrophobicContact CD1-CG2 4.16Å; L328-V409 HydrophobicContact CD2-CG1 4.48Å; L328-V409 HydrophobicContact CD2-CG2 4.25Å
329	D	95.1	Very high	96.1	Very high	69 Å²	69	62.2 Å²	62.2	37%	0.369	30%	0.298	S	S	.	.	H	α-helix	trans	-66.4	-22.9	179.3	-64.9	-46.9	0	0	0	112	D327 E399 E400	D327-D329 VanDerWaalsContact C-N 3.32Å; D327-D329 PolarHBondContact O-N 2.77Å; D327-D329 PolarHBondContact OD1-N 3.18Å; D329-E399 WeakPolarHBondContact OD2-CA 3.43Å; D329-E400 PolarHBondContact OD2-N 2.87Å
330	K	94.5	Very high	96.3	Very high	168 Å²	168	58.5 Å²	58.5	73%	0.73	29%	0.29	S	S	*	.	H	α-helix	trans	-91.8	-28.3	175.9	-67.7	-178.8	-176.7	138	0	113.5	D327 L328	D327-K330 HydrophobicContact CB-CD 4.33Å; D327-K330 PolarHBondContact O-N 2.81Å; D327-K330 VanDerWaalsContact OD2-CD 3.32Å; D327-K330 WeakPolarHBondContact OD2-CD 3.26Å; D327-K330 WeakPolarHBondContact OD2-CE 3.47Å; D327-K330 IonicContact OD2-NZ 3.82Å; D327-K330 PolarHBondContact OD2-NZ 2.9Å; L328-K330 PolarHBondContact O-N 2.6Å
331	T	94.9	Very high	96.4	Very high	77 Å²	77	51.1 Å²	51.1	47%	0.472	26%	0.263	S	S	.	.	H	α-helix	trans	-97.7	-26	-170.5	-52.6	0	0	0	0	113.2	D327 L328 H380	D327-T331 PolarHBondContact O-N 3.48Å; D327-T331 PolarHBondContact O-OG1 2.98Å; D327-T331 VanDerWaalsContact O-OG1 3.13Å; L328-T331 PolarHBondContact O-N 2.79Å; T331-H380 WeakPolarHBondContact CG2-ND1 3.33Å
332	L	97.9	Very high	96.6	Very high	13 Å²	13	50.8 Å²	50.8	7%	0.068	26%	0.259	C	S	.	.	S	Bend	trans	-123.6	155.9	-171.3	-68	167.1	0	0	0	111.4	L328 A376 F377 H380 L405 V409	L328-L332 HydrophobicContact CB-CD1 4.43Å; L328-L332 HydrophobicContact CD2-CD1 4.03Å; L328-L332 WeakPolarHBondContact O-CB 3.34Å; L328-L332 PolarHBondContact O-N 3.35Å; L332-A376 HydrophobicContact CD2-CB 4.38Å; L332-F377 HydrophobicContact CB-CE1 4.23Å; L332-F377 HydrophobicContact CB-CZ 4.13Å; L332-F377 HydrophobicContact CD1-CD1 3.78Å; L332-F377 HydrophobicContact CD1-CE1 3.61Å; L332-F377 HydrophobicContact CD1-CZ 4.34Å; L332-F377 HydrophobicContact CD2-CD1 4.03Å; L332-F377 HydrophobicContact CD2-CD2 4.44Å; L332-F377 HydrophobicContact CD2-CE1 4.21Å; L332-F377 HydrophobicContact CD2-CG 4.17Å; L332-F377 HydrophobicContact CD2-CZ 4.43Å; L332-F377 HydrophobicContact CG-CD1 4.43Å; L332-F377 HydrophobicContact CG-CE1 4.24Å; L332-H380 HydrophobicContact CD2-CB 4.06Å; L332-L405 HydrophobicContact CB-CD1 4.21Å; L332-V409 HydrophobicContact CD1-CG2 3.6Å
333	P	97.1	Very high	96.6	Very high	14 Å²	14	47.4 Å²	47.4	9%	0.091	24%	0.243	C	C	.	.			trans	-63.5	143.7	176.7	29.6	-38.1	0	0	0	110.9	E337 I338 Y373 F377	P333-E337 VanDerWaalsContact CA-OE2 3.22Å; P333-E337 WeakPolarHBondContact CA-OE2 3.43Å; P333-E337 HydrophobicContact CB-CB 4.15Å; P333-E337 WeakPolarHBondContact CB-OE2 3.36Å; P333-I338 HydrophobicContact CB-CG1 4.21Å; P333-I338 HydrophobicContact CG-CD1 4.32Å; P333-I338 HydrophobicContact CG-CG1 4Å; P333-Y373 HydrophobicContact CB-CD1 3.94Å; P333-Y373 HydrophobicContact CB-CD2 4.36Å; P333-Y373 HydrophobicContact CB-CE1 3.65Å; P333-Y373 HydrophobicContact CB-CE2 4.1Å; P333-Y373 HydrophobicContact CB-CG 4.29Å; P333-Y373 HydrophobicContact CG-CD1 3.59Å; P333-Y373 HydrophobicContact CG-CD2 4.17Å; P333-Y373 HydrophobicContact CG-CE1 3.87Å; P333-Y373 HydrophobicContact CG-CE2 4.42Å; P333-Y373 HydrophobicContact CG-CG 3.76Å; P333-F377 HydrophobicContact CG-CE2 3.76Å; P333-F377 HydrophobicContact CG-CZ 4.31Å
334	N	95.6	Very high	96.5	Very high	67 Å²	67	51 Å²	51	36%	0.358	26%	0.256	S	S	.	.			trans	-75.3	169.5	178.6	66.3	53.8	0	0	0	112.1	Q336 E337 I338	N334-Q336 PolarHBondContact O-N 3.32Å; N334-Q336 WeakPolarHBondContact OD1-CB 3.49Å; N334-Q336 PolarHBondContact OD1-N 3.38Å; N334-Q336 PolarHBondContact OD1-OE1 3.15Å; N334-Q336 VanDerWaalsContact OD1-OE1 3.06Å; N334-E337 PolarHBondContact N-OE2 3.37Å; N334-E337 PolarHBondContact ND2-OE2 3.28Å; N334-E337 PolarHBondContact O-N 2.98Å; N334-E337 WeakPolarHBondContact OD1-CG 3.21Å; N334-E337 PolarHBondContact OD1-N 2.8Å; N334-I338 VanDerWaalsContact O-CG1 3.31Å; N334-I338 WeakPolarHBondContact O-CG1 3.44Å; N334-I338 PolarHBondContact O-N 2.93Å; N334-I338 VanDerWaalsContact O-N 3.09Å
335	I	95.8	Very high	96.2	Very high	23 Å²	23	46.5 Å²	46.5	12%	0.118	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-30.5	-175	64.1	172.3	0	0	0	113.5	Q339 D404 L405 S456	I335-Q339 WeakPolarHBondContact O-CB 3.5Å; I335-Q339 PolarHBondContact O-N 2.92Å; I335-D404 HydrophobicContact CG2-CB 3.88Å; I335-L405 HydrophobicContact CG2-CD2 4.34Å; I335-S456 PolarHBondContact O-OG 3.18Å; I335-S456 VanDerWaalsContact O-OG 3.1Å
336	Q	95.6	Very high	95.8	Very high	114 Å²	114	44.4 Å²	44.4	53%	0.533	23%	0.229	S	C	.	.	H	α-helix	trans	-75.2	-40.2	179.4	-63.7	85.4	-4.7	0	0	111.4	N334 I338 Q339 A340	N334-Q336 PolarHBondContact O-N 3.32Å; N334-Q336 WeakPolarHBondContact OD1-CB 3.49Å; N334-Q336 PolarHBondContact OD1-N 3.38Å; N334-Q336 PolarHBondContact OD1-OE1 3.15Å; N334-Q336 VanDerWaalsContact OD1-OE1 3.06Å; Q336-I338 VanDerWaalsContact C-N 3.34Å; Q336-Q339 PolarHBondContact O-N 3.41Å; Q336-A340 WeakPolarHBondContact O-CB 3.48Å; Q336-A340 PolarHBondContact O-N 3.16Å
337	E	97.3	Very high	95.3	Very high	77 Å²	77	49.3 Å²	49.3	36%	0.36	25%	0.251	S	S	.	.	H	α-helix	trans	-60.9	-44.7	173.4	-72.2	176	136.2	0	0	111	P333 N334 Q339 A340 A341 Y373	P333-E337 VanDerWaalsContact CA-OE2 3.22Å; P333-E337 WeakPolarHBondContact CA-OE2 3.43Å; P333-E337 HydrophobicContact CB-CB 4.15Å; P333-E337 WeakPolarHBondContact CB-OE2 3.36Å; N334-E337 PolarHBondContact N-OE2 3.37Å; N334-E337 PolarHBondContact ND2-OE2 3.28Å; N334-E337 PolarHBondContact O-N 2.98Å; N334-E337 WeakPolarHBondContact OD1-CG 3.21Å; N334-E337 PolarHBondContact OD1-N 2.8Å; E337-Q339 PolarHBondContact O-N 2.85Å; E337-A340 PolarHBondContact O-N 3.45Å; E337-A341 WeakPolarHBondContact O-CB 3.48Å; E337-A341 PolarHBondContact O-N 3.43Å; E337-Y373 HydrophobicContact CB-CE2 4.29Å
338	I	98.1	Very high	94.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.4	-43.3	176.6	-62.3	168.1	0	0	0	110.9	P333 N334 Q336 A341 F342 W370 Y373 F377 L405 P457 L458 L461	P333-I338 HydrophobicContact CB-CG1 4.21Å; P333-I338 HydrophobicContact CG-CD1 4.32Å; P333-I338 HydrophobicContact CG-CG1 4Å; N334-I338 VanDerWaalsContact O-CG1 3.31Å; N334-I338 WeakPolarHBondContact O-CG1 3.44Å; N334-I338 PolarHBondContact O-N 2.93Å; N334-I338 VanDerWaalsContact O-N 3.09Å; Q336-I338 VanDerWaalsContact C-N 3.34Å; I338-A341 PolarHBondContact O-N 3.44Å; I338-F342 WeakPolarHBondContact O-CB 3.37Å; I338-F342 PolarHBondContact O-N 2.82Å; I338-W370 HydrophobicContact CG2-CZ3 4.03Å; I338-Y373 HydrophobicContact CG1-CD2 4.27Å; I338-F377 HydrophobicContact CD1-CE2 3.94Å; I338-F377 HydrophobicContact CD1-CZ 3.89Å; I338-L405 HydrophobicContact CD1-CD2 4.05Å; I338-P457 HydrophobicContact CG2-CG 3.88Å; I338-L458 HydrophobicContact CD1-CD1 3.57Å; I338-L461 HydrophobicContact CD1-CD2 4.14Å; I338-L461 HydrophobicContact CG1-CD2 4.44Å; I338-L461 HydrophobicContact CG2-CD2 4.03Å
339	Q	97.2	Very high	93.9	Very high	34 Å²	34	48.2 Å²	48.2	16%	0.159	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-45.1	175.5	175.9	61.5	18.5	0	0	111.5	I335 Q336 E337 A341 F342 V343 E455 P457	I335-Q339 WeakPolarHBondContact O-CB 3.5Å; I335-Q339 PolarHBondContact O-N 2.92Å; Q336-Q339 PolarHBondContact O-N 3.41Å; E337-Q339 PolarHBondContact O-N 2.85Å; Q339-A341 PolarHBondContact O-N 2.83Å; Q339-F342 PolarHBondContact O-N 3.27Å; Q339-V343 WeakPolarHBondContact O-CG2 3.41Å; Q339-V343 PolarHBondContact O-N 2.91Å; Q339-E455 WeakPolarHBondContact CB-O 3.49Å; Q339-E455 WeakPolarHBondContact CG-O 3.45Å; Q339-E455 PolarHBondContact OE1-O 3.34Å; Q339-P457 VanDerWaalsContact OE1-CD 3.26Å
340	A	97.1	Very high	92.9	Very high	52 Å²	52	46.2 Å²	46.2	43%	0.43	24%	0.236	S	C	.	.	H	α-helix	trans	-63.2	-41.9	178.5	0	0	0	0	0	112.1	Q336 E337 F342 V343 K344	Q336-A340 WeakPolarHBondContact O-CB 3.48Å; Q336-A340 PolarHBondContact O-N 3.16Å; E337-A340 PolarHBondContact O-N 3.45Å; A340-F342 VanDerWaalsContact C-N 3.34Å; A340-F342 PolarHBondContact O-N 3.19Å; A340-V343 PolarHBondContact O-N 3.36Å; A340-K344 WeakPolarHBondContact O-CG 3.3Å; A340-K344 PolarHBondContact O-N 3.09Å; A340-K344 VanDerWaalsContact O-N 3.09Å
341	A	98	Very high	91.6	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.033	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-43.6	174.9	0	0	0	0	0	111.9	E337 I338 Q339 K344 L345 T368 W370 Y373	E337-A341 WeakPolarHBondContact O-CB 3.48Å; E337-A341 PolarHBondContact O-N 3.43Å; I338-A341 PolarHBondContact O-N 3.44Å; Q339-A341 PolarHBondContact O-N 2.83Å; A341-K344 PolarHBondContact O-N 3.1Å; A341-L345 PolarHBondContact O-N 2.98Å; A341-T368 WeakPolarHBondContact CA-O 3.41Å; A341-T368 WeakPolarHBondContact CB-O 3.3Å; A341-W370 HydrophobicContact CB-CE3 4.43Å; A341-Y373 HydrophobicContact CB-CD2 3.8Å; A341-Y373 HydrophobicContact CB-CE2 3.62Å
342	F	96.6	Very high	89.8	Confident	14 Å²	14	41.7 Å²	41.7	6%	0.061	22%	0.215	C	C	.	.	H	α-helix	trans	-67.9	-39.5	177.7	178	-107.4	0	0	0	113.6	F141 I338 Q339 A340 K344 L345 K346 W370 P457 L460 Y657	F141-F342 AromaticContact CE2-CE2 3.96Å; F141-F342 HydrophobicContact CE2-CE2 3.96Å; F141-F342 AromaticContact CE2-CZ 3.96Å; F141-F342 HydrophobicContact CE2-CZ 3.96Å; F141-F342 AromaticContact CZ-CE2 3.69Å; F141-F342 HydrophobicContact CZ-CE2 3.69Å; F141-F342 AromaticContact CZ-CZ 3.97Å; F141-F342 HydrophobicContact CZ-CZ 3.97Å; I338-F342 WeakPolarHBondContact O-CB 3.37Å; I338-F342 PolarHBondContact O-N 2.82Å; Q339-F342 PolarHBondContact O-N 3.27Å; A340-F342 VanDerWaalsContact C-N 3.34Å; A340-F342 PolarHBondContact O-N 3.19Å; F342-K344 VanDerWaalsContact C-N 3.3Å; F342-K344 PolarHBondContact O-N 3.17Å; F342-L345 PolarHBondContact O-N 2.95Å; F342-K346 VanDerWaalsContact O-CB 3.28Å; F342-K346 WeakPolarHBondContact O-CB 3.44Å; F342-K346 PolarHBondContact O-N 2.82Å; F342-W370 HydrophobicContact CB-CE3 4.02Å; F342-W370 HydrophobicContact CB-CZ3 3.73Å; F342-W370 HydrophobicContact CD2-CE3 4.5Å; F342-W370 HydrophobicContact CD2-CH2 4.18Å; F342-W370 HydrophobicContact CD2-CZ3 4.13Å; F342-W370 HydrophobicContact CG-CZ3 4.35Å; F342-P457 HydrophobicContact CB-CB 4.3Å; F342-P457 HydrophobicContact CB-CG 3.54Å; F342-P457 HydrophobicContact CD1-CB 3.96Å; F342-P457 HydrophobicContact CD1-CG 4.02Å; F342-P457 HydrophobicContact CD2-CB 4.13Å; F342-P457 HydrophobicContact CD2-CG 4.21Å; F342-P457 HydrophobicContact CE1-CB 4.33Å; F342-P457 HydrophobicContact CE2-CB 4.49Å; F342-P457 HydrophobicContact CG-CB 3.86Å; F342-P457 HydrophobicContact CG-CG 3.66Å; F342-L460 HydrophobicContact CD2-CD2 4.16Å; F342-L460 HydrophobicContact CE2-CD2 3.42Å; F342-L460 VanDerWaalsContact CE2-CD2 3.42Å; F342-L460 HydrophobicContact CZ-CD2 3.9Å; F342-Y657 HydrophobicContact CE2-CE1 4.38Å
343	V	94	Very high	87.7	Confident	50 Å²	50	44.1 Å²	44.1	30%	0.303	23%	0.231	S	C	.	.	H	α-helix	trans	-59.8	-43.5	174.1	169.5	0	0	0	0	110.5	Q339 A340 K346 Q347	Q339-V343 WeakPolarHBondContact O-CG2 3.41Å; Q339-V343 PolarHBondContact O-N 2.91Å; A340-V343 PolarHBondContact O-N 3.36Å; V343-K346 PolarHBondContact O-N 2.6Å; V343-Q347 WeakPolarHBondContact O-CB 3.42Å; V343-Q347 VanDerWaalsContact O-CG 3.27Å; V343-Q347 WeakPolarHBondContact O-CG 3.37Å; V343-Q347 PolarHBondContact O-N 2.87Å
344	K	94.2	Very high	85.7	Confident	105 Å²	105	44.3 Å²	44.3	46%	0.457	23%	0.23	S	C	.	.	H	α-helix	trans	-63.3	-45.2	175	-71	176.9	178.8	-178.4	0	112.4	A340 A341 F342 K346 Q347 L348 T368	A340-K344 WeakPolarHBondContact O-CG 3.3Å; A340-K344 PolarHBondContact O-N 3.09Å; A340-K344 VanDerWaalsContact O-N 3.09Å; A341-K344 PolarHBondContact O-N 3.1Å; F342-K344 VanDerWaalsContact C-N 3.3Å; F342-K344 PolarHBondContact O-N 3.17Å; K344-K346 VanDerWaalsContact C-N 3.31Å; K344-K346 PolarHBondContact O-N 3.49Å; K344-Q347 PolarHBondContact O-N 2.99Å; K344-L348 WeakPolarHBondContact O-CB 3.35Å; K344-L348 PolarHBondContact O-N 3.47Å; K344-T368 HydrophobicContact CB-CG2 4.12Å
345	L	92.7	Very high	83.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59	-45.4	175.5	176.4	67.4	0	0	0	111.1	A341 F342 L348 C349 L365 T368 W370 L652 Y657	A341-L345 PolarHBondContact O-N 2.98Å; F342-L345 PolarHBondContact O-N 2.95Å; L345-L348 WeakPolarHBondContact O-CB 3.27Å; L345-L348 PolarHBondContact O-N 3.09Å; L345-C349 PolarHBondContact O-N 3.38Å; L345-C349 PolarHBondContact O-SG 3.24Å; L345-L365 HydrophobicContact CD1-CD1 3.72Å; L345-T368 HydrophobicContact CB-CG2 4.32Å; L345-W370 HydrophobicContact CB-CB 4.33Å; L345-W370 HydrophobicContact CD2-CB 4.06Å; L345-W370 HydrophobicContact CD2-CD2 3.98Å; L345-W370 HydrophobicContact CD2-CG 3.57Å; L345-L652 HydrophobicContact CD1-CD1 4.16Å; L345-Y657 HydrophobicContact CD2-CD1 4.09Å; L345-Y657 HydrophobicContact CD2-CD2 4.3Å; L345-Y657 HydrophobicContact CD2-CE1 3.93Å; L345-Y657 HydrophobicContact CD2-CE2 4.15Å; L345-Y657 HydrophobicContact CD2-CG 4.27Å
346	K	88.9	Confident	81.6	Confident	14 Å²	14	53.4 Å²	53.4	6%	0.061	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-49.4	179.3	-173.4	-178.9	-176.6	-176.8	0	111.7	E106 C138 F141 F342 V343 K344 L348 C349 V350	E106-K346 IonicContact OE1-NZ 2.81Å; E106-K346 PolarHBondContact OE1-NZ 3.01Å; E106-K346 IonicContact OE2-NZ 3.92Å; E106-K346 PolarHBondContact OE2-NZ 3.35Å; C138-K346 VanDerWaalsContact O-CE 3.26Å; C138-K346 WeakPolarHBondContact O-CE 3.43Å; C138-K346 PolarHBondContact O-NZ 3.15Å; F141-K346 HydrophobicContact CD1-CG 3.95Å; F141-K346 HydrophobicContact CE1-CB 3.92Å; F141-K346 HydrophobicContact CE1-CG 3.82Å; F141-K346 HydrophobicContact CZ-CB 4.24Å; F141-K346 HydrophobicContact CZ-CG 4.26Å; F342-K346 VanDerWaalsContact O-CB 3.28Å; F342-K346 WeakPolarHBondContact O-CB 3.44Å; F342-K346 PolarHBondContact O-N 2.82Å; V343-K346 PolarHBondContact O-N 2.6Å; K344-K346 VanDerWaalsContact C-N 3.31Å; K344-K346 PolarHBondContact O-N 3.49Å; K346-L348 VanDerWaalsContact C-N 3.31Å; K346-L348 PolarHBondContact O-N 3.09Å; K346-C349 PolarHBondContact O-N 2.63Å; K346-C349 VanDerWaalsContact O-N 3.1Å; K346-V350 WeakPolarHBondContact O-CG1 3.38Å; K346-V350 VanDerWaalsContact O-CG2 3.31Å; K346-V350 WeakPolarHBondContact O-CG2 3.39Å; K346-V350 PolarHBondContact O-N 3.01Å; K346-V350 VanDerWaalsContact O-N 3.09Å
347	Q	86.6	Confident	80	Confident	105 Å²	105	49.1 Å²	49.1	49%	0.491	25%	0.252	S	S	.	.	H	α-helix	trans	-53.2	-50.9	173.5	-74.2	170.9	-6.8	0	0	110.4	V343 K344 C349 V350 N351	V343-Q347 WeakPolarHBondContact O-CB 3.42Å; V343-Q347 VanDerWaalsContact O-CG 3.27Å; V343-Q347 WeakPolarHBondContact O-CG 3.37Å; V343-Q347 PolarHBondContact O-N 2.87Å; K344-Q347 PolarHBondContact O-N 2.99Å; Q347-C349 VanDerWaalsContact C-N 3.27Å; Q347-C349 PolarHBondContact O-N 2.6Å; Q347-V350 CarbonylContact O-C 3.4Å; Q347-V350 PolarHBondContact O-N 3.29Å; Q347-N351 WeakPolarHBondContact O-CB 3.39Å; Q347-N351 PolarHBondContact O-N 3.31Å; Q347-N351 PolarHBondContact O-ND2 3.27Å; Q347-N351 PolarHBondContact O-OD1 3.1Å
348	L	85.1	Confident	78.5	Confident	10 Å²	10	48 Å²	48	5%	0.052	25%	0.247	C	C	.	.	H	α-helix	trans	-56.5	-38.4	177.5	179.6	61.9	0	0	0	113.2	K344 L345 K346 V350 T357 W361 L365 T368	K344-L348 WeakPolarHBondContact O-CB 3.35Å; K344-L348 PolarHBondContact O-N 3.47Å; L345-L348 WeakPolarHBondContact O-CB 3.27Å; L345-L348 PolarHBondContact O-N 3.09Å; K346-L348 VanDerWaalsContact C-N 3.31Å; K346-L348 PolarHBondContact O-N 3.09Å; L348-V350 VanDerWaalsContact C-N 3.32Å; L348-V350 PolarHBondContact O-N 2.94Å; L348-T357 HydrophobicContact CD1-CG2 3.73Å; L348-W361 HydrophobicContact CD1-CE3 3.99Å; L348-W361 HydrophobicContact CD1-CH2 4.36Å; L348-W361 HydrophobicContact CD1-CZ3 3.61Å; L348-W361 HydrophobicContact CD2-CE3 4.44Å; L348-W361 HydrophobicContact CD2-CH2 3.85Å; L348-W361 HydrophobicContact CD2-CZ2 4.47Å; L348-W361 HydrophobicContact CD2-CZ3 3.9Å; L348-W361 HydrophobicContact CG-CE3 4.22Å; L348-W361 HydrophobicContact CG-CH2 3.71Å; L348-W361 HydrophobicContact CG-CZ3 3.45Å; L348-W361 VanDerWaalsContact CG-CZ3 3.45Å; L348-L365 HydrophobicContact CD2-CB 4.03Å; L348-L365 HydrophobicContact CD2-CD1 4.31Å; L348-T368 HydrophobicContact CD2-CG2 3.93Å
349	C	80.5	Confident	77.1	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.014	29%	0.286	C	S	.	.	H	α-helix	trans	-74.9	-19.9	179.6	-64.2	0	0	0	0	113.7	F141 L345 K346 Q347 F658	F141-C349 HydrophobicContact CD1-CB 3.77Å; F141-C349 HydrophobicContact CE1-CB 3.84Å; L345-C349 PolarHBondContact O-N 3.38Å; L345-C349 PolarHBondContact O-SG 3.24Å; K346-C349 PolarHBondContact O-N 2.63Å; K346-C349 VanDerWaalsContact O-N 3.1Å; Q347-C349 VanDerWaalsContact C-N 3.27Å; Q347-C349 PolarHBondContact O-N 2.6Å; C349-F658 HydrophobicContact CB-CD1 4.37Å; C349-F658 HydrophobicContact CB-CE1 3.97Å
350	V	74	Confident	76.4	Confident	27 Å²	27	61.1 Å²	61.1	16%	0.164	31%	0.306	C	S	.	.	H	α-helix	trans	-116.2	0.7	-176.2	-51.7	0	0	0	0	114.6	F141 I143 K346 Q347 L348 L741	F141-V350 HydrophobicContact CD1-CG1 4.37Å; I143-V350 HydrophobicContact CD1-CB 4.02Å; K346-V350 WeakPolarHBondContact O-CG1 3.38Å; K346-V350 VanDerWaalsContact O-CG2 3.31Å; K346-V350 WeakPolarHBondContact O-CG2 3.39Å; K346-V350 PolarHBondContact O-N 3.01Å; K346-V350 VanDerWaalsContact O-N 3.09Å; Q347-V350 CarbonylContact O-C 3.4Å; Q347-V350 PolarHBondContact O-N 3.29Å; L348-V350 VanDerWaalsContact C-N 3.32Å; L348-V350 PolarHBondContact O-N 2.94Å; V350-L741 HydrophobicContact CB-CD2 4.22Å; V350-L741 HydrophobicContact CG1-CD2 4.19Å
351	N	66	Low	75.7	Confident	74 Å²	74	60.2 Å²	60.2	40%	0.396	29%	0.291	S	S	.	.			trans	-66.5	143	-178.3	-81.7	-17.1	0	0	0	112.6	Q347	Q347-N351 WeakPolarHBondContact O-CB 3.39Å; Q347-N351 PolarHBondContact O-N 3.31Å; Q347-N351 PolarHBondContact O-ND2 3.27Å; Q347-N351 PolarHBondContact O-OD1 3.1Å
352	E	58.2	Low	75.1	Confident	77 Å²	77	66.4 Å²	66.4	36%	0.36	32%	0.323	S	S	.	.	S	Bend	trans	-130.6	136.9	174.6	-70.4	-68.7	152.8	0	0	109.5	C742 R743	E352-C742 VanDerWaalsContact CD-O 3.28Å; E352-R743 WeakPolarHBondContact OE1-CA 3.31Å; E352-R743 VanDerWaalsContact OE1-CG 3.22Å; E352-R743 WeakPolarHBondContact OE1-CG 3.4Å
353	P	54.1	Low	74.8	Confident	63 Å²	63	68.9 Å²	68.9	41%	0.409	34%	0.342	S	S	.	.			cis	-81.6	139.9	-1.5	32.4	-32.4	0	0	0	113	E355 E356 T357	P353-E355 PolarHBondContact O-N 3.14Å; P353-E356 HydrophobicContact CG-CG 4.34Å; P353-T357 PolarHBondContact O-OG1 2.89Å
354	F	53.3	Low	74.6	Confident	19 Å²	19	68 Å²	68	8%	0.083	34%	0.338	C	S	.	.	S	Bend	trans	-70.6	-29.5	-177.3	-173.5	-89.2	0	0	0	113.6	E356 T357 E358 W361 P750	F354-E356 VanDerWaalsContact C-N 3.34Å; F354-E356 PolarHBondContact O-N 2.89Å; F354-T357 CarbonylContact O-C 3.59Å; F354-T357 WeakPolarHBondContact O-CA 3.18Å; F354-T357 VanDerWaalsContact O-CB 3.28Å; F354-T357 WeakPolarHBondContact O-CB 3.35Å; F354-T357 PolarHBondContact O-N 2.95Å; F354-T357 PolarHBondContact O-OG1 3.39Å; F354-E358 HydrophobicContact CE1-CB 4.19Å; F354-E358 HydrophobicContact CE1-CG 4.48Å; F354-E358 PolarHBondContact O-N 3.14Å; F354-W361 AromaticContact CE2-CE3 3.94Å; F354-W361 HydrophobicContact CE2-CE3 3.94Å; F354-W361 AromaticContact CE2-CZ3 3.91Å; F354-W361 HydrophobicContact CE2-CZ3 3.91Å; F354-W361 HydrophobicContact CZ-CE3 4.01Å; F354-W361 HydrophobicContact CZ-CZ3 4.38Å; F354-P750 HydrophobicContact CE1-CB 3.66Å; F354-P750 HydrophobicContact CE1-CG 3.72Å; F354-P750 HydrophobicContact CE2-CG 4.41Å; F354-P750 HydrophobicContact CZ-CB 3.66Å; F354-P750 HydrophobicContact CZ-CG 3.38Å
355	E	53.7	Low	74.3	Confident	125 Å²	125	63.8 Å²	63.8	58%	0.584	32%	0.321	S	S	*	.	H	α-helix	trans	-57.4	-42.3	-175.8	-65.7	175.3	178.6	0	0	112.6	P353 T357 E358 S745	P353-E355 PolarHBondContact O-N 3.14Å; E355-T357 PolarHBondContact O-N 2.92Å; E355-E358 PolarHBondContact O-N 3.14Å; E355-S745 PolarHBondContact OE1-OG 3.33Å
356	E	52.8	Low	74.3	Confident	155 Å²	155	71 Å²	71	72%	0.724	36%	0.355	S	S	*	.	H	α-helix	trans	-68.1	-18.4	175.6	-64	178.8	-175.3	0	0	113	P353 F354	P353-E356 HydrophobicContact CG-CG 4.34Å; F354-E356 VanDerWaalsContact C-N 3.34Å; F354-E356 PolarHBondContact O-N 2.89Å
357	T	61.1	Low	74.6	Confident	24 Å²	24	73.9 Å²	73.9	15%	0.147	38%	0.376	C	S	.	.	H	α-helix	trans	-93.5	-15.9	-176.5	-31.7	0	0	0	0	112.1	L348 P353 F354 E355 K360 W361	L348-T357 HydrophobicContact CD1-CG2 3.73Å; P353-T357 PolarHBondContact O-OG1 2.89Å; F354-T357 CarbonylContact O-C 3.59Å; F354-T357 WeakPolarHBondContact O-CA 3.18Å; F354-T357 VanDerWaalsContact O-CB 3.28Å; F354-T357 WeakPolarHBondContact O-CB 3.35Å; F354-T357 PolarHBondContact O-N 2.95Å; F354-T357 PolarHBondContact O-OG1 3.39Å; E355-T357 PolarHBondContact O-N 2.92Å; T357-K360 CarbonylContact O-C 3.51Å; T357-K360 PolarHBondContact O-N 3.1Å; T357-W361 VanDerWaalsContact O-CA 3.3Å; T357-W361 WeakPolarHBondContact O-CA 3.21Å; T357-W361 PolarHBondContact O-N 3.16Å
358	E	65.4	Low	75.1	Confident	54 Å²	54	69 Å²	69	25%	0.252	35%	0.354	S	S	.	.	H	α-helix	trans	-67.6	-46.8	-174.6	-171	-179.6	-161.3	0	0	112.2	F354 E355 K360 W361 P750	F354-E358 HydrophobicContact CE1-CB 4.19Å; F354-E358 HydrophobicContact CE1-CG 4.48Å; F354-E358 PolarHBondContact O-N 3.14Å; E355-E358 PolarHBondContact O-N 3.14Å; E358-K360 PolarHBondContact O-N 2.86Å; E358-W361 VanDerWaalsContact O-CB 3.29Å; E358-W361 WeakPolarHBondContact O-CB 3.4Å; E358-W361 PolarHBondContact O-N 3.03Å; E358-W361 VanDerWaalsContact O-N 3.13Å; E358-P750 HydrophobicContact CG-CB 4.11Å; E358-P750 WeakPolarHBondContact OE1-CA 3.27Å
359	E	70.1	Confident	75.6	Confident	178 Å²	178	73.4 Å²	73.4	83%	0.832	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.9	-179.8	-63.4	-172.6	162.6	0	0	112.5
360	K	82.1	Confident	76.5	Confident	132 Å²	132	73.3 Å²	73.3	57%	0.574	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	3.9	-179.4	-65.2	178.2	-174.6	170.4	0	112.8	T357 E358 L362 S363 S364	T357-K360 CarbonylContact O-C 3.51Å; T357-K360 PolarHBondContact O-N 3.1Å; E358-K360 PolarHBondContact O-N 2.86Å; K360-L362 VanDerWaalsContact C-N 3.35Å; K360-L362 PolarHBondContact O-N 2.62Å; K360-S363 CarbonylContact O-C 3.5Å; K360-S363 PolarHBondContact O-N 3.46Å; K360-S363 PolarHBondContact O-OG 3.12Å; K360-S364 PolarHBondContact O-N 3.41Å; K360-S364 PolarHBondContact O-OG 3Å
361	W	82.7	Confident	77.6	Confident	32 Å²	32	73.8 Å²	73.8	12%	0.121	37%	0.37	C	S	.	.	H	α-helix	trans	-50.4	-50.5	-168.9	173.6	-101.2	0	0	0	113.2	L348 F354 T357 E358 S364 L365 L652 F658	L348-W361 HydrophobicContact CD1-CE3 3.99Å; L348-W361 HydrophobicContact CD1-CH2 4.36Å; L348-W361 HydrophobicContact CD1-CZ3 3.61Å; L348-W361 HydrophobicContact CD2-CE3 4.44Å; L348-W361 HydrophobicContact CD2-CH2 3.85Å; L348-W361 HydrophobicContact CD2-CZ2 4.47Å; L348-W361 HydrophobicContact CD2-CZ3 3.9Å; L348-W361 HydrophobicContact CG-CE3 4.22Å; L348-W361 HydrophobicContact CG-CH2 3.71Å; L348-W361 HydrophobicContact CG-CZ3 3.45Å; L348-W361 VanDerWaalsContact CG-CZ3 3.45Å; F354-W361 AromaticContact CE2-CE3 3.94Å; F354-W361 HydrophobicContact CE2-CE3 3.94Å; F354-W361 AromaticContact CE2-CZ3 3.91Å; F354-W361 HydrophobicContact CE2-CZ3 3.91Å; F354-W361 HydrophobicContact CZ-CE3 4.01Å; F354-W361 HydrophobicContact CZ-CZ3 4.38Å; T357-W361 VanDerWaalsContact O-CA 3.3Å; T357-W361 WeakPolarHBondContact O-CA 3.21Å; T357-W361 PolarHBondContact O-N 3.16Å; E358-W361 VanDerWaalsContact O-CB 3.29Å; E358-W361 WeakPolarHBondContact O-CB 3.4Å; E358-W361 PolarHBondContact O-N 3.03Å; E358-W361 VanDerWaalsContact O-N 3.13Å; W361-S364 PolarHBondContact O-N 2.99Å; W361-L365 VanDerWaalsContact O-CB 3.26Å; W361-L365 WeakPolarHBondContact O-CB 3.45Å; W361-L365 PolarHBondContact O-N 3.06Å; W361-L652 HydrophobicContact CZ2-CD2 3.93Å; W361-F658 HydrophobicContact CH2-CE1 4.24Å; W361-F658 HydrophobicContact CH2-CE2 4.14Å; W361-F658 AromaticContact CH2-CZ 3.35Å; W361-F658 HydrophobicContact CH2-CZ 3.35Å; W361-F658 AromaticContact CZ2-CE2 3.97Å; W361-F658 HydrophobicContact CZ2-CE2 3.97Å; W361-F658 AromaticContact CZ2-CZ 3.63Å; W361-F658 HydrophobicContact CZ2-CZ 3.63Å; W361-F658 HydrophobicContact CZ3-CZ 4.18Å
362	L	85.4	Confident	79	Confident	135 Å²	135	73.9 Å²	73.9	71%	0.707	37%	0.369	S	S	*	.	H	α-helix	trans	-64.5	-43.5	-178.9	-64.5	177.3	0	0	0	111.7	K360 L365 E366	K360-L362 VanDerWaalsContact C-N 3.35Å; K360-L362 PolarHBondContact O-N 2.62Å; L362-L365 PolarHBondContact O-N 2.83Å; L362-E366 WeakPolarHBondContact O-CB 2.98Å; L362-E366 PolarHBondContact O-N 2.61Å
363	S	89.4	Confident	81	Confident	66 Å²	66	70.8 Å²	70.8	46%	0.462	35%	0.354	S	S	.	.	H	α-helix	trans	-66.6	-37.9	176.9	67.8	0	0	0	0	112.5	K360 E366 S367	K360-S363 CarbonylContact O-C 3.5Å; K360-S363 PolarHBondContact O-N 3.46Å; K360-S363 PolarHBondContact O-OG 3.12Å; S363-E366 PolarHBondContact O-N 3.22Å; S363-S367 WeakPolarHBondContact O-CB 3.44Å; S363-S367 PolarHBondContact O-N 3.19Å
364	S	89.4	Confident	83.1	Confident	31 Å²	31	67.8 Å²	67.8	22%	0.217	33%	0.334	C	S	.	.	H	α-helix	trans	-67.7	-42.7	175.3	-63.8	0	0	0	0	110.9	K360 W361 S367 T368	K360-S364 PolarHBondContact O-N 3.41Å; K360-S364 PolarHBondContact O-OG 3Å; W361-S364 PolarHBondContact O-N 2.99Å; S364-S367 PolarHBondContact O-N 2.92Å; S364-S367 PolarHBondContact O-OG 3.38Å; S364-T368 WeakPolarHBondContact O-CG2 3.44Å; S364-T368 PolarHBondContact O-N 3.12Å
365	L	89.8	Confident	85.2	Confident	17 Å²	17	72 Å²	72	9%	0.089	35%	0.35	C	S	.	.	H	α-helix	trans	-62.2	-44.8	175.1	179.3	61.7	0	0	0	111.3	L345 L348 W361 L362 S367 T368 L371 L652	L345-L365 HydrophobicContact CD1-CD1 3.72Å; L348-L365 HydrophobicContact CD2-CB 4.03Å; L348-L365 HydrophobicContact CD2-CD1 4.31Å; W361-L365 VanDerWaalsContact O-CB 3.26Å; W361-L365 WeakPolarHBondContact O-CB 3.45Å; W361-L365 PolarHBondContact O-N 3.06Å; L362-L365 PolarHBondContact O-N 2.83Å; L365-S367 VanDerWaalsContact C-N 3.31Å; L365-S367 PolarHBondContact O-N 2.7Å; L365-T368 WeakPolarHBondContact O-CB 3.46Å; L365-T368 WeakPolarHBondContact O-CG2 3.44Å; L365-T368 PolarHBondContact O-N 2.86Å; L365-T368 VanDerWaalsContact O-N 3.15Å; L365-T368 PolarHBondContact O-OG1 3.44Å; L365-L371 HydrophobicContact CD2-CD1 3.87Å; L365-L371 HydrophobicContact CG-CD1 4.23Å; L365-L652 HydrophobicContact CD1-CD1 4.25Å
366	E	91.8	Very high	87.3	Confident	152 Å²	152	67.5 Å²	67.5	71%	0.71	33%	0.334	S	S	*	.	H	α-helix	trans	-58.7	-42.8	173.9	-175.4	174.3	-158.8	0	0	111.4	L362 S363 T368 R369	L362-E366 WeakPolarHBondContact O-CB 2.98Å; L362-E366 PolarHBondContact O-N 2.61Å; S363-E366 PolarHBondContact O-N 3.22Å; E366-T368 PolarHBondContact O-N 3.16Å; E366-T368 VanDerWaalsContact O-N 3.1Å; E366-R369 PolarHBondContact O-N 3.41Å
367	S	95	Very high	89.5	Confident	74 Å²	74	60.1 Å²	60.1	52%	0.517	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-17.5	178.3	82.9	0	0	0	0	114.5	S363 S364 L365 R369	S363-S367 WeakPolarHBondContact O-CB 3.44Å; S363-S367 PolarHBondContact O-N 3.19Å; S364-S367 PolarHBondContact O-N 2.92Å; S364-S367 PolarHBondContact O-OG 3.38Å; L365-S367 VanDerWaalsContact C-N 3.31Å; L365-S367 PolarHBondContact O-N 2.7Å; S367-R369 VanDerWaalsContact C-N 3.31Å
368	T	96.3	Very high	91.3	Very high	3 Å²	3	59 Å²	59	2%	0.018	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-26.4	172.7	74.5	0	0	0	0	112.4	A341 K344 L345 L348 S364 L365 E366 W370	A341-T368 WeakPolarHBondContact CA-O 3.41Å; A341-T368 WeakPolarHBondContact CB-O 3.3Å; K344-T368 HydrophobicContact CB-CG2 4.12Å; L345-T368 HydrophobicContact CB-CG2 4.32Å; L348-T368 HydrophobicContact CD2-CG2 3.93Å; S364-T368 WeakPolarHBondContact O-CG2 3.44Å; S364-T368 PolarHBondContact O-N 3.12Å; L365-T368 WeakPolarHBondContact O-CB 3.46Å; L365-T368 WeakPolarHBondContact O-CG2 3.44Å; L365-T368 PolarHBondContact O-N 2.86Å; L365-T368 VanDerWaalsContact O-N 3.15Å; L365-T368 PolarHBondContact O-OG1 3.44Å; E366-T368 PolarHBondContact O-N 3.16Å; E366-T368 VanDerWaalsContact O-N 3.1Å; T368-W370 PolarHBondContact O-N 3.38Å; T368-W370 PolarHBondContact OG1-N 3.24Å
369	R	97.5	Very high	92.9	Very high	101 Å²	101	59.9 Å²	59.9	38%	0.381	30%	0.296	S	S	.	.			trans	61.5	6.1	-171.4	-50.5	-176.1	70.4	-171.9	0.5	115.4	E366 S367 E372 Y373	E366-R369 PolarHBondContact O-N 3.41Å; S367-R369 VanDerWaalsContact C-N 3.31Å; R369-E372 HydrophobicContact CB-CB 4.4Å; R369-E372 WeakPolarHBondContact CG-OE2 3.33Å; R369-E372 IonicContact CZ-OE1 2.69Å; R369-E372 IonicContact CZ-OE2 2.62Å; R369-E372 IonicContact NE-OE1 2.7Å; R369-E372 IonicContact NE-OE2 3.12Å; R369-E372 PolarHBondContact NE-OE2 2.94Å; R369-E372 IonicContact NH2-OE1 2.83Å; R369-E372 PolarHBondContact NH2-OE1 2.92Å; R369-E372 IonicContact NH2-OE2 3.97Å; R369-E372 WeakPolarHBondContact O-CB 3.39Å; R369-E372 PolarHBondContact O-N 3.21Å; R369-Y373 HydrophobicContact CB-CE1 4.39Å; R369-Y373 HydrophobicContact CB-CE2 4.32Å; R369-Y373 PolarHBondContact NH1-OH 2.88Å; R369-Y373 PolarHBondContact O-N 3.33Å
370	W	97.8	Very high	94.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.4	-51.2	-178.1	-178.5	-102	0	0	0	112.4	I338 A341 F342 L345 T368 E372 Y373 V374 P457 L461 D464 Y657	I338-W370 HydrophobicContact CG2-CZ3 4.03Å; A341-W370 HydrophobicContact CB-CE3 4.43Å; F342-W370 HydrophobicContact CB-CE3 4.02Å; F342-W370 HydrophobicContact CB-CZ3 3.73Å; F342-W370 HydrophobicContact CD2-CE3 4.5Å; F342-W370 HydrophobicContact CD2-CH2 4.18Å; F342-W370 HydrophobicContact CD2-CZ3 4.13Å; F342-W370 HydrophobicContact CG-CZ3 4.35Å; L345-W370 HydrophobicContact CB-CB 4.33Å; L345-W370 HydrophobicContact CD2-CB 4.06Å; L345-W370 HydrophobicContact CD2-CD2 3.98Å; L345-W370 HydrophobicContact CD2-CG 3.57Å; T368-W370 PolarHBondContact O-N 3.38Å; T368-W370 PolarHBondContact OG1-N 3.24Å; W370-E372 VanDerWaalsContact C-N 3.27Å; W370-E372 PolarHBondContact O-N 3.21Å; W370-Y373 PolarHBondContact O-N 2.88Å; W370-Y373 VanDerWaalsContact O-N 3.15Å; W370-V374 WeakPolarHBondContact O-CG2 3.45Å; W370-V374 PolarHBondContact O-N 2.62Å; W370-P457 HydrophobicContact CH2-CB 4.3Å; W370-P457 HydrophobicContact CH2-CG 3.9Å; W370-P457 HydrophobicContact CZ3-CG 3.78Å; W370-L461 HydrophobicContact CH2-CB 3.8Å; W370-L461 HydrophobicContact CH2-CD1 3.82Å; W370-L461 HydrophobicContact CH2-CG 4.34Å; W370-L461 HydrophobicContact CZ2-CB 4.2Å; W370-L461 HydrophobicContact CZ2-CD1 3.71Å; W370-L461 HydrophobicContact CZ3-CD1 4.28Å; W370-D464 PolarHBondContact NE1-OD2 3.34Å; W370-Y657 VanDerWaalsContact CE2-OH 3.3Å; W370-Y657 VanDerWaalsContact CZ2-OH 3.22Å; W370-Y657 WeakPolarHBondContact CZ2-OH 3.47Å; W370-Y657 AromaticContact NE1-CE2 3.91Å; W370-Y657 AromaticContact NE1-CZ 3.63Å; W370-Y657 PolarHBondContact NE1-OH 3.44Å
371	L	97	Very high	95	Very high	37 Å²	37	45.5 Å²	45.5	19%	0.194	23%	0.231	C	C	.	.	H	α-helix	trans	-68.9	-26.5	178.8	-62.1	-176.1	0	0	0	112.6	L365 R375 I650 L652	L365-L371 HydrophobicContact CD2-CD1 3.87Å; L365-L371 HydrophobicContact CG-CD1 4.23Å; L371-R375 WeakPolarHBondContact O-CB 3.35Å; L371-R375 PolarHBondContact O-N 3.45Å; L371-I650 HydrophobicContact CB-CG2 4.25Å; L371-I650 HydrophobicContact CD2-CG2 4.21Å; L371-L652 HydrophobicContact CD2-CD1 4.39Å
372	E	97	Very high	95.7	Very high	77 Å²	77	44 Å²	44	36%	0.36	23%	0.226	S	C	.	.	H	α-helix	trans	-62.2	-45.7	170.6	-175.7	-164.9	155.1	0	0	110.2	R369 W370 R375 A376	R369-E372 HydrophobicContact CB-CB 4.4Å; R369-E372 WeakPolarHBondContact CG-OE2 3.33Å; R369-E372 IonicContact CZ-OE1 2.69Å; R369-E372 IonicContact CZ-OE2 2.62Å; R369-E372 IonicContact NE-OE1 2.7Å; R369-E372 IonicContact NE-OE2 3.12Å; R369-E372 PolarHBondContact NE-OE2 2.94Å; R369-E372 IonicContact NH2-OE1 2.83Å; R369-E372 PolarHBondContact NH2-OE1 2.92Å; R369-E372 IonicContact NH2-OE2 3.97Å; R369-E372 WeakPolarHBondContact O-CB 3.39Å; R369-E372 PolarHBondContact O-N 3.21Å; W370-E372 VanDerWaalsContact C-N 3.27Å; W370-E372 PolarHBondContact O-N 3.21Å; E372-R375 WeakPolarHBondContact O-CB 3.25Å; E372-R375 PolarHBondContact O-N 2.82Å; E372-A376 WeakPolarHBondContact O-CB 2.94Å; E372-A376 PolarHBondContact O-N 3.27Å
373	Y	98.3	Very high	96.4	Very high	12 Å²	12	40.2 Å²	40.2	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-69.2	-43.1	177.2	-62.7	-19.4	0	0	0	112.4	P333 E337 I338 A341 R369 W370 R375 A376 F377	P333-Y373 HydrophobicContact CB-CD1 3.94Å; P333-Y373 HydrophobicContact CB-CD2 4.36Å; P333-Y373 HydrophobicContact CB-CE1 3.65Å; P333-Y373 HydrophobicContact CB-CE2 4.1Å; P333-Y373 HydrophobicContact CB-CG 4.29Å; P333-Y373 HydrophobicContact CG-CD1 3.59Å; P333-Y373 HydrophobicContact CG-CD2 4.17Å; P333-Y373 HydrophobicContact CG-CE1 3.87Å; P333-Y373 HydrophobicContact CG-CE2 4.42Å; P333-Y373 HydrophobicContact CG-CG 3.76Å; E337-Y373 HydrophobicContact CB-CE2 4.29Å; I338-Y373 HydrophobicContact CG1-CD2 4.27Å; A341-Y373 HydrophobicContact CB-CD2 3.8Å; A341-Y373 HydrophobicContact CB-CE2 3.62Å; R369-Y373 HydrophobicContact CB-CE1 4.39Å; R369-Y373 HydrophobicContact CB-CE2 4.32Å; R369-Y373 PolarHBondContact NH1-OH 2.88Å; R369-Y373 PolarHBondContact O-N 3.33Å; W370-Y373 PolarHBondContact O-N 2.88Å; W370-Y373 VanDerWaalsContact O-N 3.15Å; Y373-R375 PolarHBondContact O-N 2.94Å; Y373-A376 PolarHBondContact O-N 3.14Å; Y373-A376 VanDerWaalsContact O-N 3.09Å; Y373-F377 VanDerWaalsContact O-CD2 3.28Å; Y373-F377 WeakPolarHBondContact O-CD2 3.46Å; Y373-F377 PolarHBondContact O-N 3.05Å
374	V	98.6	Very high	96.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-50.6	-48.7	170.6	170.8	0	0	0	0	110.4	W370 L378 L461 D464 T465 Q468 I650	W370-V374 WeakPolarHBondContact O-CG2 3.45Å; W370-V374 PolarHBondContact O-N 2.62Å; V374-L378 HydrophobicContact CG1-CD1 4.06Å; V374-L378 WeakPolarHBondContact O-CG 3.37Å; V374-L378 PolarHBondContact O-N 2.94Å; V374-L378 VanDerWaalsContact O-N 3.17Å; V374-L461 HydrophobicContact CB-CD1 4.38Å; V374-L461 HydrophobicContact CG2-CD1 3.5Å; V374-D464 HydrophobicContact CG2-CB 4.42Å; V374-T465 HydrophobicContact CB-CG2 4.35Å; V374-T465 HydrophobicContact CG1-CG2 3.91Å; V374-Q468 HydrophobicContact CG1-CG 3.63Å; V374-I650 HydrophobicContact CG1-CG2 4.17Å
375	R	98.2	Very high	97.2	Very high	107 Å²	107	35.6 Å²	35.6	40%	0.404	17%	0.172	S	C	.	.	H	α-helix	trans	-63.7	-43.6	177.5	-173.9	-179.3	66.8	128.1	-0.1	112.3	L371 E372 Y373 F377 L378 Q379 L645 I650	L371-R375 WeakPolarHBondContact O-CB 3.35Å; L371-R375 PolarHBondContact O-N 3.45Å; E372-R375 WeakPolarHBondContact O-CB 3.25Å; E372-R375 PolarHBondContact O-N 2.82Å; Y373-R375 PolarHBondContact O-N 2.94Å; R375-F377 PolarHBondContact O-N 2.93Å; R375-L378 PolarHBondContact O-N 3.34Å; R375-Q379 VanDerWaalsContact O-CB 3.27Å; R375-Q379 WeakPolarHBondContact O-CB 3.4Å; R375-Q379 PolarHBondContact O-N 3.45Å; R375-L645 VanDerWaalsContact CD-O 3.24Å; R375-L645 WeakPolarHBondContact CD-O 3.48Å; R375-L645 HydrophobicContact CG-CB 4.39Å; R375-L645 HydrophobicContact CG-CD2 4.19Å; R375-I650 HydrophobicContact CB-CG1 4.33Å; R375-I650 HydrophobicContact CG-CG1 4.39Å
376	A	98.3	Very high	97.6	Very high	30 Å²	30	36.3 Å²	36.3	25%	0.248	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-45	-178.9	0	0	0	0	0	112.3	L332 E372 Y373 Q379 H380	L332-A376 HydrophobicContact CD2-CB 4.38Å; E372-A376 WeakPolarHBondContact O-CB 2.94Å; E372-A376 PolarHBondContact O-N 3.27Å; Y373-A376 PolarHBondContact O-N 3.14Å; Y373-A376 VanDerWaalsContact O-N 3.09Å; A376-Q379 PolarHBondContact O-N 2.66Å; A376-H380 WeakPolarHBondContact O-CB 3.15Å; A376-H380 PolarHBondContact O-N 3.29Å
377	F	98.7	Very high	97.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-67.8	-38.4	177.2	-79.7	-84.1	0	0	0	112.7	L332 P333 I338 Y373 R375 S381 L405 L408 V409 L412 L458 L461 T465	L332-F377 HydrophobicContact CB-CE1 4.23Å; L332-F377 HydrophobicContact CB-CZ 4.13Å; L332-F377 HydrophobicContact CD1-CD1 3.78Å; L332-F377 HydrophobicContact CD1-CE1 3.61Å; L332-F377 HydrophobicContact CD1-CZ 4.34Å; L332-F377 HydrophobicContact CD2-CD1 4.03Å; L332-F377 HydrophobicContact CD2-CD2 4.44Å; L332-F377 HydrophobicContact CD2-CE1 4.21Å; L332-F377 HydrophobicContact CD2-CG 4.17Å; L332-F377 HydrophobicContact CD2-CZ 4.43Å; L332-F377 HydrophobicContact CG-CD1 4.43Å; L332-F377 HydrophobicContact CG-CE1 4.24Å; P333-F377 HydrophobicContact CG-CE2 3.76Å; P333-F377 HydrophobicContact CG-CZ 4.31Å; I338-F377 HydrophobicContact CD1-CE2 3.94Å; I338-F377 HydrophobicContact CD1-CZ 3.89Å; Y373-F377 VanDerWaalsContact O-CD2 3.28Å; Y373-F377 WeakPolarHBondContact O-CD2 3.46Å; Y373-F377 PolarHBondContact O-N 3.05Å; R375-F377 PolarHBondContact O-N 2.93Å; F377-S381 VanDerWaalsContact O-CB 3.29Å; F377-S381 WeakPolarHBondContact O-CB 3.28Å; F377-S381 PolarHBondContact O-N 2.71Å; F377-S381 PolarHBondContact O-OG 3.4Å; F377-L405 HydrophobicContact CE1-CD2 4.28Å; F377-L405 HydrophobicContact CZ-CD2 3.93Å; F377-L408 HydrophobicContact CB-CD2 3.85Å; F377-L408 HydrophobicContact CD1-CD1 3.94Å; F377-L408 HydrophobicContact CD1-CD2 3.41Å; F377-L408 VanDerWaalsContact CD1-CD2 3.41Å; F377-L408 HydrophobicContact CD1-CG 4.17Å; F377-L408 HydrophobicContact CE1-CD1 4.03Å; F377-L408 HydrophobicContact CE1-CD2 4.16Å; F377-L408 HydrophobicContact CE1-CG 4.48Å; F377-L408 HydrophobicContact CG-CD1 4.18Å; F377-L408 HydrophobicContact CG-CD2 3.82Å; F377-L408 HydrophobicContact CZ-CD1 4.44Å; F377-V409 HydrophobicContact CD1-CG2 3.99Å; F377-V409 HydrophobicContact CE1-CG2 4.3Å; F377-L412 HydrophobicContact CB-CD1 4.31Å; F377-L458 HydrophobicContact CZ-CD1 4.33Å; F377-L461 HydrophobicContact CD2-CD2 3.59Å; F377-L461 HydrophobicContact CD2-CG 4.44Å; F377-L461 HydrophobicContact CE2-CD2 3.48Å; F377-L461 VanDerWaalsContact CE2-CD2 3.48Å; F377-L461 HydrophobicContact CG-CD2 4.48Å; F377-L461 HydrophobicContact CZ-CD2 4.27Å; F377-T465 HydrophobicContact CB-CG2 4.29Å
378	L	98.7	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.3	-44.5	174.2	-77.8	170.8	0	0	0	111.8	V374 R375 A382 L412 M416 T465 Q468 L469 P643 L645 I650	V374-L378 HydrophobicContact CG1-CD1 4.06Å; V374-L378 WeakPolarHBondContact O-CG 3.37Å; V374-L378 PolarHBondContact O-N 2.94Å; V374-L378 VanDerWaalsContact O-N 3.17Å; R375-L378 PolarHBondContact O-N 3.34Å; L378-A382 VanDerWaalsContact O-CB 3.3Å; L378-A382 WeakPolarHBondContact O-CB 3.48Å; L378-A382 PolarHBondContact O-N 2.97Å; L378-L412 HydrophobicContact CD2-CD1 4.39Å; L378-M416 HydrophobicContact CD2-CE 3.78Å; L378-T465 HydrophobicContact CG-CG2 4.01Å; L378-Q468 HydrophobicContact CD1-CB 3.81Å; L378-Q468 HydrophobicContact CD1-CG 3.91Å; L378-L469 HydrophobicContact CD2-CD1 4.49Å; L378-L469 HydrophobicContact CD2-CD2 4.25Å; L378-L469 HydrophobicContact CD2-CG 4.14Å; L378-P643 HydrophobicContact CB-CB 4.3Å; L378-P643 HydrophobicContact CB-CG 3.98Å; L378-P643 HydrophobicContact CD1-CB 4.41Å; L378-P643 HydrophobicContact CD2-CB 4.14Å; L378-P643 HydrophobicContact CD2-CG 4.16Å; L378-L645 HydrophobicContact CB-CD2 3.7Å; L378-I650 HydrophobicContact CD1-CD1 3.91Å
379	Q	97.9	Very high	98	Very high	73 Å²	73	27.8 Å²	27.8	34%	0.341	13%	0.127	S	C	.	.	H	α-helix	trans	-61.4	-54.4	178.5	179.7	176.1	-17.1	0	0	110.8	R375 A376 S381 A382 E383 L645	R375-Q379 VanDerWaalsContact O-CB 3.27Å; R375-Q379 WeakPolarHBondContact O-CB 3.4Å; R375-Q379 PolarHBondContact O-N 3.45Å; A376-Q379 PolarHBondContact O-N 2.66Å; Q379-S381 VanDerWaalsContact C-N 3.32Å; Q379-S381 PolarHBondContact O-N 3.41Å; Q379-A382 WeakPolarHBondContact O-CB 3.36Å; Q379-A382 PolarHBondContact O-N 3.38Å; Q379-A382 VanDerWaalsContact O-N 3.08Å; Q379-E383 WeakPolarHBondContact CG-OE1 3.34Å; Q379-E383 PolarHBondContact NE2-OE1 3.16Å; Q379-E383 WeakPolarHBondContact O-CG 3.36Å; Q379-E383 PolarHBondContact O-N 3.01Å; Q379-L645 HydrophobicContact CB-CD1 3.68Å; Q379-L645 HydrophobicContact CB-CD2 4.2Å; Q379-L645 HydrophobicContact CG-CD1 3.83Å
380	H	98.6	Very high	97.8	Very high	9 Å²	9	25.4 Å²	25.4	4%	0.042	13%	0.126	C	C	.	.	H	α-helix	trans	-60.6	-42.8	-178.6	-172	61.4	0	0	0	111.8	S326 L328 T331 L332 A376 A382 E383 L384	S326-H380 PolarHBondContact OG-CE1 2.78Å; S326-H380 PolarHBondContact OG-NE2 3.3Å; L328-H380 WeakPolarHBondContact CD2-NE2 3.27Å; T331-H380 WeakPolarHBondContact CG2-ND1 3.33Å; L332-H380 HydrophobicContact CD2-CB 4.06Å; A376-H380 WeakPolarHBondContact O-CB 3.15Å; A376-H380 PolarHBondContact O-N 3.29Å; H380-A382 VanDerWaalsContact C-N 3.3Å; H380-A382 PolarHBondContact O-N 3.1Å; H380-E383 IonicContact ND1-OE2 3.17Å; H380-E383 WeakPolarHBondContact O-CB 3.25Å; H380-E383 PolarHBondContact O-N 3.43Å; H380-L384 WeakPolarHBondContact O-CG 3.44Å; H380-L384 PolarHBondContact O-N 3.17Å
381	S	98.8	Very high	97.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.9	-39.4	176.3	-56.7	0	0	0	0	111.8	F377 Q379 L384 V385 L412	F377-S381 VanDerWaalsContact O-CB 3.29Å; F377-S381 WeakPolarHBondContact O-CB 3.28Å; F377-S381 PolarHBondContact O-N 2.71Å; F377-S381 PolarHBondContact O-OG 3.4Å; Q379-S381 VanDerWaalsContact C-N 3.32Å; Q379-S381 PolarHBondContact O-N 3.41Å; S381-L384 PolarHBondContact O-N 2.9Å; S381-V385 WeakPolarHBondContact O-CG2 3.09Å; S381-V385 PolarHBondContact O-N 2.97Å; S381-L412 WeakPolarHBondContact OG-CB 3.42Å
382	A	98.3	Very high	97.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-67.3	-36.1	177.6	0	0	0	0	0	112.8	L378 Q379 H380 V385 Y386 M416 F627 L642 P643	L378-A382 VanDerWaalsContact O-CB 3.3Å; L378-A382 WeakPolarHBondContact O-CB 3.48Å; L378-A382 PolarHBondContact O-N 2.97Å; Q379-A382 WeakPolarHBondContact O-CB 3.36Å; Q379-A382 PolarHBondContact O-N 3.38Å; Q379-A382 VanDerWaalsContact O-N 3.08Å; H380-A382 VanDerWaalsContact C-N 3.3Å; H380-A382 PolarHBondContact O-N 3.1Å; A382-V385 WeakPolarHBondContact O-CB 3.45Å; A382-V385 PolarHBondContact O-N 3.37Å; A382-Y386 PolarHBondContact O-N 2.81Å; A382-Y386 VanDerWaalsContact O-N 3.1Å; A382-M416 HydrophobicContact CB-SD 4.39Å; A382-F627 HydrophobicContact CB-CE1 3.8Å; A382-F627 HydrophobicContact CB-CZ 3.65Å; A382-L642 HydrophobicContact CB-CD2 4.17Å; A382-P643 HydrophobicContact CB-CG 4.13Å
383	E	98.1	Very high	97.7	Very high	55 Å²	55	31.2 Å²	31.2	26%	0.257	15%	0.148	S	C	.	.	H	α-helix	trans	-62.4	-42.5	171.9	-68.6	164	-175.2	0	0	111	Q379 H380 V385 Y386 I387 V623	Q379-E383 WeakPolarHBondContact CG-OE1 3.34Å; Q379-E383 PolarHBondContact NE2-OE1 3.16Å; Q379-E383 WeakPolarHBondContact O-CG 3.36Å; Q379-E383 PolarHBondContact O-N 3.01Å; H380-E383 IonicContact ND1-OE2 3.17Å; H380-E383 WeakPolarHBondContact O-CB 3.25Å; H380-E383 PolarHBondContact O-N 3.43Å; E383-V385 VanDerWaalsContact C-N 3.32Å; E383-V385 PolarHBondContact O-N 3.47Å; E383-Y386 WeakPolarHBondContact O-CB 3.36Å; E383-Y386 PolarHBondContact O-N 2.9Å; E383-Y386 VanDerWaalsContact O-N 3.14Å; E383-I387 WeakPolarHBondContact O-CG1 3.45Å; E383-I387 PolarHBondContact O-N 2.92Å; E383-I387 VanDerWaalsContact O-N 3.09Å; E383-V623 HydrophobicContact CG-CG1 4.22Å
384	L	98.5	Very high	97.7	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-66.2	-33.5	175.7	-62.2	-178.6	0	0	0	112.7	Y324 H380 S381 Y386 I387 L388 V395 L397 V409 V413	Y324-L384 HydrophobicContact CD1-CD2 4.32Å; Y324-L384 HydrophobicContact CE1-CD2 3.97Å; H380-L384 WeakPolarHBondContact O-CG 3.44Å; H380-L384 PolarHBondContact O-N 3.17Å; S381-L384 PolarHBondContact O-N 2.9Å; L384-Y386 VanDerWaalsContact C-N 3.32Å; L384-I387 HydrophobicContact CD2-CD1 4.09Å; L384-I387 PolarHBondContact O-N 2.94Å; L384-L388 WeakPolarHBondContact O-CG 3.42Å; L384-L388 PolarHBondContact O-N 2.84Å; L384-V395 HydrophobicContact CD1-CG1 4.39Å; L384-V395 HydrophobicContact CD2-CG1 3.99Å; L384-L397 HydrophobicContact CD1-CD2 3.5Å; L384-V409 HydrophobicContact CD1-CG1 3.48Å; L384-V409 VanDerWaalsContact CD1-CG1 3.48Å; L384-V413 HydrophobicContact CB-CG2 4.01Å; L384-V413 HydrophobicContact CD1-CG2 4.27Å
385	V	98.4	Very high	97.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.7	-41.7	171.3	172.6	0	0	0	0	110.8	S381 A382 E383 I387 L388 D389 V413 M416 M417 I640 L642	S381-V385 WeakPolarHBondContact O-CG2 3.09Å; S381-V385 PolarHBondContact O-N 2.97Å; A382-V385 WeakPolarHBondContact O-CB 3.45Å; A382-V385 PolarHBondContact O-N 3.37Å; E383-V385 VanDerWaalsContact C-N 3.32Å; E383-V385 PolarHBondContact O-N 3.47Å; V385-I387 VanDerWaalsContact C-N 3.33Å; V385-I387 PolarHBondContact O-N 3.37Å; V385-L388 PolarHBondContact O-N 3Å; V385-D389 VanDerWaalsContact O-CB 3.3Å; V385-D389 WeakPolarHBondContact O-CB 3.31Å; V385-D389 PolarHBondContact O-N 2.84Å; V385-V413 HydrophobicContact CG2-CG1 4.15Å; V385-M416 HydrophobicContact CG2-CB 3.96Å; V385-M416 HydrophobicContact CG2-SD 4.08Å; V385-M417 HydrophobicContact CB-CG 4.35Å; V385-M417 HydrophobicContact CB-SD 4.39Å; V385-M417 HydrophobicContact CG1-CE 4.33Å; V385-M417 HydrophobicContact CG1-CG 3.84Å; V385-M417 HydrophobicContact CG1-SD 4.13Å; V385-M417 HydrophobicContact CG2-CG 3.72Å; V385-M417 HydrophobicContact CG2-SD 4.03Å; V385-I640 HydrophobicContact CG1-CD1 4.44Å; V385-I640 HydrophobicContact CG1-CG2 3.65Å; V385-L642 HydrophobicContact CB-CD2 4.01Å; V385-L642 HydrophobicContact CG1-CD2 3.76Å; V385-L642 HydrophobicContact CG2-CD2 4.48Å
386	Y	97.6	Very high	97.7	Very high	31 Å²	31	25.6 Å²	25.6	12%	0.122	13%	0.127	C	C	.	.	H	α-helix	trans	-59.7	-42.6	173.8	163.7	-106.1	0	0	0	112.1	A382 E383 L384 S390 Q391 V623 Y626	A382-Y386 PolarHBondContact O-N 2.81Å; A382-Y386 VanDerWaalsContact O-N 3.1Å; E383-Y386 WeakPolarHBondContact O-CB 3.36Å; E383-Y386 PolarHBondContact O-N 2.9Å; E383-Y386 VanDerWaalsContact O-N 3.14Å; L384-Y386 VanDerWaalsContact C-N 3.32Å; Y386-S390 WeakPolarHBondContact O-CA 3.4Å; Y386-S390 VanDerWaalsContact O-CB 3.32Å; Y386-S390 WeakPolarHBondContact O-CB 3.45Å; Y386-S390 PolarHBondContact O-N 2.78Å; Y386-Q391 HydrophobicContact CE1-CG 3.93Å; Y386-Q391 PolarHBondContact O-N 2.94Å; Y386-V623 HydrophobicContact CD1-CG2 3.73Å; Y386-V623 HydrophobicContact CE1-CG2 3.58Å; Y386-Y626 AromaticContact CD2-CD1 3.47Å; Y386-Y626 HydrophobicContact CD2-CD1 3.47Å; Y386-Y626 VanDerWaalsContact CD2-CD1 3.47Å; Y386-Y626 AromaticContact CD2-CD2 3.66Å; Y386-Y626 HydrophobicContact CD2-CD2 3.66Å; Y386-Y626 AromaticContact CD2-CE1 3.95Å; Y386-Y626 HydrophobicContact CD2-CE1 3.95Å; Y386-Y626 HydrophobicContact CD2-CE2 4.14Å; Y386-Y626 AromaticContact CD2-CG 3.29Å; Y386-Y626 HydrophobicContact CD2-CG 3.29Å; Y386-Y626 HydrophobicContact CE2-CD1 4.37Å; Y386-Y626 HydrophobicContact CE2-CD2 4.06Å; Y386-Y626 AromaticContact CE2-CG 3.79Å; Y386-Y626 HydrophobicContact CE2-CG 3.79Å; Y386-Y626 AromaticContact CG-CD1 3.96Å; Y386-Y626 HydrophobicContact CG-CD1 3.96Å; Y386-Y626 HydrophobicContact CG-CE1 4.32Å; Y386-Y626 HydrophobicContact CG-CG 4.21Å
387	I	98.1	Very high	97.7	Very high	13 Å²	13	24.2 Å²	24.2	7%	0.067	12%	0.115	C	C	.	.	H	α-helix	trans	-63.6	-44.9	177.6	-63.2	173.4	0	0	0	111.2	Y324 E383 L384 V385 Q391 R392 L393 V395	Y324-I387 HydrophobicContact CD1-CD1 3.53Å; Y324-I387 HydrophobicContact CD1-CG2 4.33Å; Y324-I387 HydrophobicContact CD2-CD1 4.01Å; Y324-I387 HydrophobicContact CE1-CD1 3.42Å; Y324-I387 VanDerWaalsContact CE1-CD1 3.42Å; Y324-I387 HydrophobicContact CE2-CD1 3.91Å; Y324-I387 HydrophobicContact CG-CD1 3.82Å; Y324-I387 HydrophobicContact CG-CG2 4.02Å; E383-I387 WeakPolarHBondContact O-CG1 3.45Å; E383-I387 PolarHBondContact O-N 2.92Å; E383-I387 VanDerWaalsContact O-N 3.09Å; L384-I387 HydrophobicContact CD2-CD1 4.09Å; L384-I387 PolarHBondContact O-N 2.94Å; V385-I387 VanDerWaalsContact C-N 3.33Å; V385-I387 PolarHBondContact O-N 3.37Å; I387-Q391 CarbonylContact O-C 3.47Å; I387-Q391 WeakPolarHBondContact O-CB 3.37Å; I387-Q391 PolarHBondContact O-N 3.2Å; I387-R392 PolarHBondContact O-N 3.41Å; I387-R392 VanDerWaalsContact O-N 3.11Å; I387-L393 HydrophobicContact CG2-CB 3.84Å; I387-L393 HydrophobicContact CG2-CD1 4.3Å; I387-L393 PolarHBondContact O-N 3.44Å; I387-V395 HydrophobicContact CB-CG2 4.17Å; I387-V395 HydrophobicContact CG2-CG2 3.66Å
388	L	97.6	Very high	97.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-68.9	-44.8	180	-73.3	163.7	0	0	0	112.7	N286 S288 L384 V385 V395 V413 M417	N286-L388 PolarHBondContact ND2-O 3.26Å; S288-L388 PolarHBondContact OG-O 3.39Å; L384-L388 WeakPolarHBondContact O-CG 3.42Å; L384-L388 PolarHBondContact O-N 2.84Å; V385-L388 PolarHBondContact O-N 3Å; L388-V395 HydrophobicContact CD1-CG2 4.47Å; L388-V395 HydrophobicContact CD2-CB 4.14Å; L388-V395 HydrophobicContact CD2-CG2 3.87Å; L388-V395 HydrophobicContact CG-CB 4.37Å; L388-V395 HydrophobicContact CG-CG2 3.78Å; L388-V413 HydrophobicContact CD1-CG1 3.51Å; L388-M417 HydrophobicContact CB-CE 3.96Å; L388-M417 HydrophobicContact CB-SD 4.04Å; L388-M417 HydrophobicContact CD1-SD 3.78Å
389	D	95.5	Very high	97.4	Very high	38 Å²	38	25.6 Å²	25.6	20%	0.203	12%	0.122	C	C	.	.	H	α-helix	trans	-85.2	-54.3	-173.2	-176.4	57.2	0	0	0	112.6	H284 V385 M417 I640	H284-D389 IonicContact CE1-OD1 3.35Å; H284-D389 PolarHBondContact CE1-OD1 2.94Å; H284-D389 IonicContact NE2-OD1 3.78Å; V385-D389 VanDerWaalsContact O-CB 3.3Å; V385-D389 WeakPolarHBondContact O-CB 3.31Å; V385-D389 PolarHBondContact O-N 2.84Å; D389-M417 HydrophobicContact CB-CE 4.02Å; D389-I640 HydrophobicContact CB-CD1 3.72Å; D389-I640 WeakPolarHBondContact OD1-CD1 3.43Å
390	S	93.9	Very high	97.2	Very high	51 Å²	51	27.6 Å²	27.6	36%	0.357	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-44.8	-171.5	-66.6	0	0	0	0	112.8	Y386 R392 Y626	Y386-S390 WeakPolarHBondContact O-CA 3.4Å; Y386-S390 VanDerWaalsContact O-CB 3.32Å; Y386-S390 WeakPolarHBondContact O-CB 3.45Å; Y386-S390 PolarHBondContact O-N 2.78Å; S390-R392 VanDerWaalsContact C-N 3.34Å; S390-Y626 WeakPolarHBondContact OG-CD2 3.33Å; S390-Y626 WeakPolarHBondContact OG-CE2 3.34Å
391	Q	95.7	Very high	96.7	Very high	82 Å²	82	29.4 Å²	29.4	38%	0.383	14%	0.14	S	C	.	.	S	Bend	trans	-81.5	-14.9	177.6	-58.5	-170.9	-27.9	0	0	113.2	Y386 I387 L393	Y386-Q391 HydrophobicContact CE1-CG 3.93Å; Y386-Q391 PolarHBondContact O-N 2.94Å; I387-Q391 CarbonylContact O-C 3.47Å; I387-Q391 WeakPolarHBondContact O-CB 3.37Å; I387-Q391 PolarHBondContact O-N 3.2Å; Q391-L393 HydrophobicContact CB-CD1 4.23Å; Q391-L393 HydrophobicContact CB-CG 4.03Å; Q391-L393 PolarHBondContact O-N 3.49Å
392	R	96.3	Very high	96.2	Very high	115 Å²	115	29.5 Å²	29.5	43%	0.434	14%	0.141	S	C	.	.			trans	56.2	38.3	179.6	-52.1	178.9	177	-94.4	-8.6	112.7	S288 H317 S321 I387 S390	S288-R392 VanDerWaalsContact OG-CA 3.31Å; S288-R392 WeakPolarHBondContact OG-CA 3.41Å; S288-R392 PolarHBondContact OG-O 2.98Å; H317-R392 PolarHBondContact NE2-O 3.44Å; S321-R392 VanDerWaalsContact CB-O 3.25Å; S321-R392 WeakPolarHBondContact CB-O 3.45Å; S321-R392 PolarHBondContact OG-O 2.87Å; S321-R392 VanDerWaalsContact OG-O 3.1Å; I387-R392 PolarHBondContact O-N 3.41Å; I387-R392 VanDerWaalsContact O-N 3.11Å; S390-R392 VanDerWaalsContact C-N 3.34Å
393	L	97.8	Very high	95.9	Very high	39 Å²	39	31 Å²	31	20%	0.204	15%	0.146	C	C	.	.			trans	-103	141	175.7	-58.3	-179.7	0	0	0	109.8	D322 I387 Q391	D322-L393 HydrophobicContact CB-CD2 4.27Å; I387-L393 HydrophobicContact CG2-CB 3.84Å; I387-L393 HydrophobicContact CG2-CD1 4.3Å; I387-L393 PolarHBondContact O-N 3.44Å; Q391-L393 HydrophobicContact CB-CD1 4.23Å; Q391-L393 HydrophobicContact CB-CG 4.03Å; Q391-L393 PolarHBondContact O-N 3.49Å
394	S	98.2	Very high	95.7	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.007	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	141.6	167.5	-65.6	0	0	0	0	109.6	A289 V323 Y324	A289-S394 PolarHBondContact N-OG 2.82Å; A289-S394 CarbonylContact O-C 3.52Å; A289-S394 VanDerWaalsContact O-CA 3.24Å; A289-S394 WeakPolarHBondContact O-CA 3.45Å; A289-S394 WeakPolarHBondContact O-CB 3.35Å; V323-S394 CarbonylContact C-O 3.57Å; V323-S394 WeakPolarHBondContact CA-O 3.48Å; Y324-S394 PolarHBondContact N-O 3.42Å
395	V	98.6	Very high	95.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.6	-177.5	172.6	0	0	0	0	110.2	A289 L290 V291 Y324 L384 I387 L388 L397	A289-V395 PolarHBondContact O-N 3.32Å; L290-V395 WeakPolarHBondContact CA-O 3.5Å; L290-V395 HydrophobicContact CD1-CB 4.04Å; L290-V395 HydrophobicContact CD1-CG1 3.92Å; V291-V395 PolarHBondContact N-O 3.17Å; Y324-V395 HydrophobicContact CD1-CG1 4.5Å; Y324-V395 HydrophobicContact CD1-CG2 4.36Å; Y324-V395 CarbonylContact O-C 3.56Å; Y324-V395 WeakPolarHBondContact O-CA 3.25Å; L384-V395 HydrophobicContact CD1-CG1 4.39Å; L384-V395 HydrophobicContact CD2-CG1 3.99Å; I387-V395 HydrophobicContact CB-CG2 4.17Å; I387-V395 HydrophobicContact CG2-CG2 3.66Å; L388-V395 HydrophobicContact CD1-CG2 4.47Å; L388-V395 HydrophobicContact CD2-CB 4.14Å; L388-V395 HydrophobicContact CD2-CG2 3.87Å; L388-V395 HydrophobicContact CG-CB 4.37Å; L388-V395 HydrophobicContact CG-CG2 3.78Å; V395-L397 HydrophobicContact CG1-CD2 3.9Å
396	V	98.5	Very high	95.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	117.1	168.3	177.8	0	0	0	0	109	V291 M293 I313 V323 Y324 K325 S326	V291-V396 HydrophobicContact CB-CG2 4.09Å; V291-V396 HydrophobicContact CG1-CG2 4.39Å; V291-V396 CarbonylContact O-C 3.53Å; V291-V396 WeakPolarHBondContact O-CA 3.5Å; M293-V396 HydrophobicContact CB-CG1 3.71Å; M293-V396 HydrophobicContact CE-CG1 4.1Å; M293-V396 HydrophobicContact SD-CG1 4.28Å; I313-V396 HydrophobicContact CD1-CG2 3.53Å; V323-V396 HydrophobicContact CG1-CB 4.38Å; V323-V396 HydrophobicContact CG1-CG2 3.51Å; Y324-V396 PolarHBondContact O-N 3.02Å; K325-V396 WeakPolarHBondContact CA-O 3.33Å; K325-V396 HydrophobicContact CG-CB 4.28Å; S326-V396 PolarHBondContact N-O 3.49Å
397	L	98.4	Very high	95.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	118.4	169.7	-55.3	-177.3	0	0	0	108.9	L290 V291 R292 M293 L328 L384 V395 V409 A410	L290-L397 HydrophobicContact CD1-CD1 4.04Å; L290-L397 HydrophobicContact CD1-CD2 4.21Å; L290-L397 HydrophobicContact CD1-CG 3.9Å; V291-L397 PolarHBondContact O-N 2.8Å; R292-L397 HydrophobicContact CG-CB 4.17Å; R292-L397 HydrophobicContact CG-CD1 4.11Å; M293-L397 PolarHBondContact N-O 3.25Å; L328-L397 HydrophobicContact CD1-CB 4.24Å; L328-L397 HydrophobicContact CD2-CD2 4.34Å; L384-L397 HydrophobicContact CD1-CD2 3.5Å; V395-L397 HydrophobicContact CG1-CD2 3.9Å; L397-V409 HydrophobicContact CD1-CB 4.21Å; L397-V409 HydrophobicContact CD1-CG1 3.99Å; L397-V409 HydrophobicContact CD2-CG1 3.94Å; L397-A410 HydrophobicContact CD1-CB 3.77Å
398	Q	96.1	Very high	95.6	Very high	21 Å²	21	26.7 Å²	26.7	10%	0.098	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.3	180	-167.6	172.8	-53.3	0	0	110	M293 L295 S326 L328	M293-Q398 HydrophobicContact CE-CG 4.25Å; M293-Q398 WeakPolarHBondContact O-CA 3.16Å; L295-Q398 HydrophobicContact CD2-CG 3.61Å; S326-Q398 PolarHBondContact O-N 3.02Å; L328-Q398 PolarHBondContact N-O 2.86Å
399	E	95.1	Very high	95.7	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.037	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	151.3	179.8	170.2	-173.8	-161.3	0	0	107.4	M293 A294 L295 D329 E401 G402 R403 D404 L405 S406	M293-E399 PolarHBondContact O-N 3.04Å; A294-E399 WeakPolarHBondContact CA-O 3.47Å; L295-E399 PolarHBondContact N-O 3.09Å; D329-E399 WeakPolarHBondContact OD2-CA 3.43Å; E399-E401 PolarHBondContact O-N 3.35Å; E399-G402 PolarHBondContact O-N 3.01Å; E399-G402 VanDerWaalsContact OE2-CA 3.32Å; E399-G402 WeakPolarHBondContact OE2-CA 3.26Å; E399-R403 PolarHBondContact OE2-N 2.92Å; E399-D404 WeakPolarHBondContact OE1-CA 3.49Å; E399-D404 WeakPolarHBondContact OE1-CB 3.44Å; E399-D404 PolarHBondContact OE1-N 3.28Å; E399-D404 VanDerWaalsContact OE1-N 3.14Å; E399-D404 PolarHBondContact OE2-N 3.4Å; E399-L405 PolarHBondContact OE1-N 2.91Å; E399-L405 PolarHBondContact OE2-N 2.84Å; E399-S406 WeakPolarHBondContact OE2-CB 3.25Å; E399-S406 PolarHBondContact OE2-N 2.79Å; E399-S406 PolarHBondContact OE2-OG 2.75Å
400	E	92.5	Very high	95.8	Very high	115 Å²	115	24.9 Å²	24.9	54%	0.537	12%	0.118	S	C	.	.	S	Bend	trans	-44.6	-65.5	-176.9	-174.1	176.7	-172.3	0	0	113	V273 L295 D329	V273-E400 VanDerWaalsContact CB-O 3.25Å; V273-E400 WeakPolarHBondContact CB-O 3.36Å; V273-E400 WeakPolarHBondContact CG1-O 3.44Å; L295-E400 HydrophobicContact CD1-CB 4.08Å; L295-E400 HydrophobicContact CD1-CG 4.26Å; L295-E400 PolarHBondContact N-O 3.29Å; D329-E400 PolarHBondContact OD2-N 2.87Å
401	E	88.6	Confident	96.1	Very high	48 Å²	48	22.5 Å²	22.5	22%	0.224	10%	0.101	C	C	.	.	S	Bend	trans	-93.1	-15.9	175.8	-63.3	-172.1	-179	0	0	112.7	V273 R276 E399 R403 Q441	V273-E401 HydrophobicContact CG1-CG 3.97Å; R276-E401 WeakPolarHBondContact CD-O 3.45Å; R276-E401 PolarHBondContact NE-O 3.37Å; E399-E401 PolarHBondContact O-N 3.35Å; E401-R403 VanDerWaalsContact C-N 3.29Å; E401-R403 HydrophobicContact CB-CB 4.38Å; E401-R403 HydrophobicContact CB-CG 4.33Å; E401-R403 WeakPolarHBondContact O-CG 3.46Å; E401-R403 PolarHBondContact O-N 3.33Å; E401-R403 IonicContact OE1-NH2 3.49Å; E401-R403 IonicContact OE2-CZ 3.33Å; E401-R403 IonicContact OE2-NE 2.75Å; E401-R403 PolarHBondContact OE2-NE 2.84Å; E401-R403 IonicContact OE2-NH2 2.98Å; E401-R403 PolarHBondContact OE2-NH2 3.32Å; E401-Q441 PolarHBondContact OE2-NE2 3.09Å
402	G	89.2	Confident	96.2	Very high	2 Å²	2	18.6 Å²	18.6	2%	0.021	8%	0.083	C	C	.	.	S	Bend	trans	61.1	36.8	-175.1	0	0	0	0	0	113.1	R276 R292 E399 S406	R276-G402 PolarHBondContact NE-O 3.49Å; R276-G402 PolarHBondContact NH2-O 3.49Å; R292-G402 PolarHBondContact NH2-O 3.42Å; E399-G402 PolarHBondContact O-N 3.01Å; E399-G402 VanDerWaalsContact OE2-CA 3.32Å; E399-G402 WeakPolarHBondContact OE2-CA 3.26Å; G402-S406 VanDerWaalsContact C-OG 3.3Å; G402-S406 WeakPolarHBondContact CA-OG 3.45Å
403	R	91.1	Very high	96.3	Very high	30 Å²	30	13.1 Å²	13.1	11%	0.113	6%	0.062	C	C	.	.	S	Bend	trans	-129	-8.9	-174.1	-68.6	-163.8	-65.3	166.8	-3	114.4	R276 E399 E401 C407 G439 Y440 Q441	R276-R403 VanDerWaalsContact CZ-CG 3.44Å; E399-R403 PolarHBondContact OE2-N 2.92Å; E401-R403 VanDerWaalsContact C-N 3.29Å; E401-R403 HydrophobicContact CB-CB 4.38Å; E401-R403 HydrophobicContact CB-CG 4.33Å; E401-R403 WeakPolarHBondContact O-CG 3.46Å; E401-R403 PolarHBondContact O-N 3.33Å; E401-R403 IonicContact OE1-NH2 3.49Å; E401-R403 IonicContact OE2-CZ 3.33Å; E401-R403 IonicContact OE2-NE 2.75Å; E401-R403 PolarHBondContact OE2-NE 2.84Å; E401-R403 IonicContact OE2-NH2 2.98Å; E401-R403 PolarHBondContact OE2-NH2 3.32Å; R403-C407 PolarHBondContact O-SG 3.4Å; R403-G439 WeakPolarHBondContact CD-O 3.47Å; R403-Y440 VanDerWaalsContact O-CD2 3.25Å; R403-Y440 WeakPolarHBondContact O-CD2 3.48Å; R403-Q441 VanDerWaalsContact CZ-NE2 3.33Å; R403-Q441 VanDerWaalsContact NH2-CD 3.33Å
404	D	94.9	Very high	96.4	Very high	9 Å²	9	11.2 Å²	11.2	5%	0.048	5%	0.052	C	C	.	.	S	Bend	trans	-119.8	-89.7	-176.7	-65.5	-66.4	0	0	0	110.7	I335 E399 S406 C407 Y440 R445 L458	I335-D404 HydrophobicContact CG2-CB 3.88Å; E399-D404 WeakPolarHBondContact OE1-CA 3.49Å; E399-D404 WeakPolarHBondContact OE1-CB 3.44Å; E399-D404 PolarHBondContact OE1-N 3.28Å; E399-D404 VanDerWaalsContact OE1-N 3.14Å; E399-D404 PolarHBondContact OE2-N 3.4Å; D404-S406 PolarHBondContact O-N 3.06Å; D404-C407 VanDerWaalsContact O-CB 3.24Å; D404-C407 WeakPolarHBondContact O-CB 3.36Å; D404-C407 PolarHBondContact O-N 3.45Å; D404-Y440 WeakPolarHBondContact OD1-CE2 3.24Å; D404-R445 VanDerWaalsContact CG-NH2 3.25Å; D404-R445 IonicContact OD1-CZ 2.61Å; D404-R445 VanDerWaalsContact OD1-CZ 3.25Å; D404-R445 IonicContact OD1-NE 2.71Å; D404-R445 PolarHBondContact OD1-NE 3.26Å; D404-R445 IonicContact OD1-NH2 3.88Å; D404-R445 PolarHBondContact OD1-NH2 3.02Å; D404-R445 IonicContact OD2-CZ 3.8Å; D404-R445 IonicContact OD2-NE 2.77Å; D404-R445 IonicContact OD2-NH2 3.26Å; D404-R445 PolarHBondContact OD2-NH2 3.01Å; D404-L458 HydrophobicContact CB-CD2 3.74Å; D404-L458 VanDerWaalsContact O-CD2 3.32Å; D404-L458 WeakPolarHBondContact O-CD2 3.48Å
405	L	97.7	Very high	96.4	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.01	5%	0.052	C	C	.	.	H	α-helix	trans	-57.4	-38.2	-172.7	-54.2	-169.4	0	0	0	111.8	L328 L332 I335 I338 F377 E399 C407 L408 V409 L458	L328-L405 HydrophobicContact CB-CB 4.28Å; L328-L405 HydrophobicContact CB-CD1 4.45Å; L328-L405 HydrophobicContact CD1-CB 4.16Å; L332-L405 HydrophobicContact CB-CD1 4.21Å; I335-L405 HydrophobicContact CG2-CD2 4.34Å; I338-L405 HydrophobicContact CD1-CD2 4.05Å; F377-L405 HydrophobicContact CE1-CD2 4.28Å; F377-L405 HydrophobicContact CZ-CD2 3.93Å; E399-L405 PolarHBondContact OE1-N 2.91Å; E399-L405 PolarHBondContact OE2-N 2.84Å; L405-C407 VanDerWaalsContact C-N 3.26Å; L405-C407 PolarHBondContact O-N 3.48Å; L405-L408 PolarHBondContact O-N 3.39Å; L405-L408 VanDerWaalsContact O-N 3.16Å; L405-V409 PolarHBondContact O-N 3.5Å; L405-L458 HydrophobicContact CD2-CD1 3.92Å; L405-L458 HydrophobicContact CD2-CD2 4.15Å
406	S	96.9	Very high	96.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65	-25.9	178.2	59	0	0	0	0	113.3	R292 L328 E399 G402 D404 A410	R292-S406 VanDerWaalsContact CZ-C 3.46Å; R292-S406 VanDerWaalsContact NE-CB 3.35Å; R292-S406 PolarHBondContact NE-O 3.07Å; R292-S406 PolarHBondContact NE-OG 2.77Å; R292-S406 VanDerWaalsContact NE-OG 3.08Å; R292-S406 PolarHBondContact NH2-OG 3.43Å; L328-S406 VanDerWaalsContact CD1-CA 3.44Å; E399-S406 WeakPolarHBondContact OE2-CB 3.25Å; E399-S406 PolarHBondContact OE2-N 2.79Å; E399-S406 PolarHBondContact OE2-OG 2.75Å; G402-S406 VanDerWaalsContact C-OG 3.3Å; G402-S406 WeakPolarHBondContact CA-OG 3.45Å; D404-S406 PolarHBondContact O-N 3.06Å; S406-A410 WeakPolarHBondContact O-CB 3.49Å; S406-A410 PolarHBondContact O-N 2.88Å
407	C	97.3	Very high	96.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-64	-47.5	172.4	-63.9	0	0	0	0	110.7	R292 R403 D404 L405 S411 E434 W435	R292-C407 VanDerWaalsContact NH2-N 3.19Å; R292-C407 PolarHBondContact NH2-SG 2.91Å; R403-C407 PolarHBondContact O-SG 3.4Å; D404-C407 VanDerWaalsContact O-CB 3.24Å; D404-C407 WeakPolarHBondContact O-CB 3.36Å; D404-C407 PolarHBondContact O-N 3.45Å; L405-C407 VanDerWaalsContact C-N 3.26Å; L405-C407 PolarHBondContact O-N 3.48Å; C407-S411 VanDerWaalsContact O-CB 3.25Å; C407-S411 WeakPolarHBondContact O-CB 3.33Å; C407-S411 PolarHBondContact O-N 2.95Å; C407-S411 PolarHBondContact O-OG 3.12Å; C407-E434 PolarHBondContact SG-O 3.06Å; C407-E434 VanDerWaalsContact SG-O 3.32Å; C407-W435 HydrophobicContact CB-CD2 3.84Å; C407-W435 HydrophobicContact CB-CE3 3.92Å; C407-W435 HydrophobicContact CB-CG 4.43Å; C407-W435 HydrophobicContact CB-CH2 4.06Å; C407-W435 HydrophobicContact CB-CZ2 3.97Å; C407-W435 HydrophobicContact CB-CZ3 4.03Å
408	L	98.4	Very high	96.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-65.6	-53.9	-177.6	-170.6	167	0	0	0	110.3	F377 L405 A410 S411 L412 W435 L458 L461 F462	F377-L408 HydrophobicContact CB-CD2 3.85Å; F377-L408 HydrophobicContact CD1-CD1 3.94Å; F377-L408 HydrophobicContact CD1-CD2 3.41Å; F377-L408 VanDerWaalsContact CD1-CD2 3.41Å; F377-L408 HydrophobicContact CD1-CG 4.17Å; F377-L408 HydrophobicContact CE1-CD1 4.03Å; F377-L408 HydrophobicContact CE1-CD2 4.16Å; F377-L408 HydrophobicContact CE1-CG 4.48Å; F377-L408 HydrophobicContact CG-CD1 4.18Å; F377-L408 HydrophobicContact CG-CD2 3.82Å; F377-L408 HydrophobicContact CZ-CD1 4.44Å; L405-L408 PolarHBondContact O-N 3.39Å; L405-L408 VanDerWaalsContact O-N 3.16Å; L408-A410 PolarHBondContact O-N 3.2Å; L408-S411 PolarHBondContact O-N 3.09Å; L408-L412 HydrophobicContact CD2-CD1 3.38Å; L408-L412 HydrophobicContact CD2-CG 3.87Å; L408-L412 PolarHBondContact O-N 3.1Å; L408-W435 HydrophobicContact CB-CH2 4.07Å; L408-W435 HydrophobicContact CB-CZ2 4.13Å; L408-L458 HydrophobicContact CD1-CD1 3.68Å; L408-L458 HydrophobicContact CD1-CG 4.14Å; L408-L461 HydrophobicContact CD1-CB 4.09Å; L408-L461 HydrophobicContact CD1-CD2 3.94Å; L408-L461 HydrophobicContact CD1-CG 3.9Å; L408-F462 HydrophobicContact CD1-CB 4.28Å; L408-F462 HydrophobicContact CG-CB 3.95Å; L408-F462 HydrophobicContact CG-CD2 4.47Å
409	V	98.8	Very high	96.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.8	-45	-178.4	177	0	0	0	0	111	L328 L332 F377 L384 L397 L405 S411 L412 V413	L328-V409 HydrophobicContact CD1-CB 4.32Å; L328-V409 HydrophobicContact CD1-CG2 4.16Å; L328-V409 HydrophobicContact CD2-CG1 4.48Å; L328-V409 HydrophobicContact CD2-CG2 4.25Å; L332-V409 HydrophobicContact CD1-CG2 3.6Å; F377-V409 HydrophobicContact CD1-CG2 3.99Å; F377-V409 HydrophobicContact CE1-CG2 4.3Å; L384-V409 HydrophobicContact CD1-CG1 3.48Å; L384-V409 VanDerWaalsContact CD1-CG1 3.48Å; L397-V409 HydrophobicContact CD1-CB 4.21Å; L397-V409 HydrophobicContact CD1-CG1 3.99Å; L397-V409 HydrophobicContact CD2-CG1 3.94Å; L405-V409 PolarHBondContact O-N 3.5Å; V409-S411 VanDerWaalsContact C-N 3.28Å; V409-S411 PolarHBondContact O-N 3.47Å; V409-L412 PolarHBondContact O-N 3.19Å; V409-V413 HydrophobicContact CG1-CG2 4.42Å; V409-V413 WeakPolarHBondContact O-CG2 3.4Å; V409-V413 PolarHBondContact O-N 2.75Å
410	A	98.6	Very high	96.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.9	-36.8	179	0	0	0	0	0	112.8	L290 R292 L397 S406 L408 Q414	L290-A410 HydrophobicContact CD2-CB 4.13Å; R292-A410 HydrophobicContact CG-CB 4.37Å; L397-A410 HydrophobicContact CD1-CB 3.77Å; S406-A410 WeakPolarHBondContact O-CB 3.49Å; S406-A410 PolarHBondContact O-N 2.88Å; L408-A410 PolarHBondContact O-N 3.2Å; A410-Q414 WeakPolarHBondContact O-CB 3.46Å; A410-Q414 VanDerWaalsContact O-CG 3.31Å; A410-Q414 WeakPolarHBondContact O-CG 3.31Å; A410-Q414 PolarHBondContact O-N 2.98Å; A410-Q414 PolarHBondContact O-NE2 2.65Å
411	S	98.8	Very high	96.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-70.9	-42.9	177.6	-58.8	0	0	0	0	111.7	C407 L408 V409 Q414 V415 E434 W435	C407-S411 VanDerWaalsContact O-CB 3.25Å; C407-S411 WeakPolarHBondContact O-CB 3.33Å; C407-S411 PolarHBondContact O-N 2.95Å; C407-S411 PolarHBondContact O-OG 3.12Å; L408-S411 PolarHBondContact O-N 3.09Å; V409-S411 VanDerWaalsContact C-N 3.28Å; V409-S411 PolarHBondContact O-N 3.47Å; S411-Q414 WeakPolarHBondContact O-CB 3.3Å; S411-Q414 PolarHBondContact O-N 2.96Å; S411-V415 WeakPolarHBondContact O-CG2 3.37Å; S411-V415 PolarHBondContact O-N 2.84Å; S411-E434 WeakPolarHBondContact OG-CB 3.4Å; S411-W435 PolarHBondContact OG-NE1 3.07Å
412	L	98.8	Very high	97.1	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-64.7	-45	178.7	-79.6	-175.5	0	0	0	112.6	F377 L378 S381 L408 V409 Q414 V415 M416 F462 T465 L469	F377-L412 HydrophobicContact CB-CD1 4.31Å; L378-L412 HydrophobicContact CD2-CD1 4.39Å; S381-L412 WeakPolarHBondContact OG-CB 3.42Å; L408-L412 HydrophobicContact CD2-CD1 3.38Å; L408-L412 HydrophobicContact CD2-CG 3.87Å; L408-L412 PolarHBondContact O-N 3.1Å; V409-L412 PolarHBondContact O-N 3.19Å; L412-Q414 VanDerWaalsContact C-N 3.26Å; L412-Q414 PolarHBondContact O-N 3.49Å; L412-V415 PolarHBondContact O-N 3.1Å; L412-M416 HydrophobicContact CB-CE 4.44Å; L412-M416 WeakPolarHBondContact O-CB 3.35Å; L412-M416 VanDerWaalsContact O-CG 3.27Å; L412-M416 WeakPolarHBondContact O-CG 3.43Å; L412-M416 PolarHBondContact O-N 3.35Å; L412-F462 HydrophobicContact CD2-CD2 4.29Å; L412-F462 HydrophobicContact CD2-CE2 4.29Å; L412-F462 HydrophobicContact CG-CD2 4.34Å; L412-T465 HydrophobicContact CD1-CG2 4.24Å; L412-L469 HydrophobicContact CD2-CD1 4.39Å
413	V	98.9	Very high	97.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-56.2	-45.3	174.2	171.2	0	0	0	0	110.1	L290 L384 V385 L388 V409 M416 M417	L290-V413 HydrophobicContact CD2-CB 4.08Å; L290-V413 HydrophobicContact CD2-CG1 3.92Å; L384-V413 HydrophobicContact CB-CG2 4.01Å; L384-V413 HydrophobicContact CD1-CG2 4.27Å; V385-V413 HydrophobicContact CG2-CG1 4.15Å; L388-V413 HydrophobicContact CD1-CG1 3.51Å; V409-V413 HydrophobicContact CG1-CG2 4.42Å; V409-V413 WeakPolarHBondContact O-CG2 3.4Å; V409-V413 PolarHBondContact O-N 2.75Å; V413-M416 PolarHBondContact O-N 3.05Å; V413-M417 HydrophobicContact CG1-CG 4.46Å; V413-M417 HydrophobicContact CG1-SD 3.91Å; V413-M417 WeakPolarHBondContact O-CB 3.25Å; V413-M417 VanDerWaalsContact O-CG 3.31Å; V413-M417 WeakPolarHBondContact O-CG 3.42Å; V413-M417 PolarHBondContact O-N 3.32Å
414	Q	98.8	Very high	97.6	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-63.8	-42.2	177.2	-82.4	178.8	88.3	0	0	113	W282 L290 A410 S411 L412 M416 M417 D418 F421 L430 E434	W282-Q414 HydrophobicContact CB-CG 3.68Å; W282-Q414 HydrophobicContact CD2-CG 4.41Å; W282-Q414 HydrophobicContact CG-CG 3.83Å; L290-Q414 HydrophobicContact CD2-CG 4.48Å; A410-Q414 WeakPolarHBondContact O-CB 3.46Å; A410-Q414 VanDerWaalsContact O-CG 3.31Å; A410-Q414 WeakPolarHBondContact O-CG 3.31Å; A410-Q414 PolarHBondContact O-N 2.98Å; A410-Q414 PolarHBondContact O-NE2 2.65Å; S411-Q414 WeakPolarHBondContact O-CB 3.3Å; S411-Q414 PolarHBondContact O-N 2.96Å; L412-Q414 VanDerWaalsContact C-N 3.26Å; L412-Q414 PolarHBondContact O-N 3.49Å; Q414-M416 VanDerWaalsContact C-N 3.34Å; Q414-M417 PolarHBondContact O-N 2.92Å; Q414-D418 WeakPolarHBondContact O-CB 3.36Å; Q414-D418 PolarHBondContact O-N 3.4Å; Q414-F421 HydrophobicContact CB-CD2 3.59Å; Q414-F421 HydrophobicContact CB-CE2 3.71Å; Q414-F421 HydrophobicContact CG-CD2 4.25Å; Q414-F421 HydrophobicContact CG-CE2 3.85Å; Q414-L430 HydrophobicContact CB-CD1 3.88Å; Q414-L430 HydrophobicContact CG-CD1 4.37Å; Q414-E434 PolarHBondContact NE2-OE1 3.09Å
415	V	98.8	Very high	97.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-63.6	-39.8	175	169.4	0	0	0	0	111.6	S411 L412 F421 R422 F427 L430 L469 F477	S411-V415 WeakPolarHBondContact O-CG2 3.37Å; S411-V415 PolarHBondContact O-N 2.84Å; L412-V415 PolarHBondContact O-N 3.1Å; V415-F421 HydrophobicContact CG2-CB 4.46Å; V415-R422 HydrophobicContact CG1-CG 4.23Å; V415-R422 WeakPolarHBondContact O-CD 3.46Å; V415-R422 PolarHBondContact O-NE 3.2Å; V415-F427 HydrophobicContact CG2-CD2 4.29Å; V415-F427 HydrophobicContact CG2-CE2 4.16Å; V415-L430 HydrophobicContact CG2-CD2 3.57Å; V415-L469 HydrophobicContact CG1-CD1 3.88Å; V415-F477 HydrophobicContact CG1-CE1 3.73Å; V415-F477 HydrophobicContact CG1-CZ 3.9Å
416	M	98.6	Very high	97.6	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-68	-38.9	178.5	-72.4	177.6	-167.5	0	0	112.1	L378 A382 V385 L412 V413 Q414 L469 I640 I641 P643	L378-M416 HydrophobicContact CD2-CE 3.78Å; A382-M416 HydrophobicContact CB-SD 4.39Å; V385-M416 HydrophobicContact CG2-CB 3.96Å; V385-M416 HydrophobicContact CG2-SD 4.08Å; L412-M416 HydrophobicContact CB-CE 4.44Å; L412-M416 WeakPolarHBondContact O-CB 3.35Å; L412-M416 VanDerWaalsContact O-CG 3.27Å; L412-M416 WeakPolarHBondContact O-CG 3.43Å; L412-M416 PolarHBondContact O-N 3.35Å; V413-M416 PolarHBondContact O-N 3.05Å; Q414-M416 VanDerWaalsContact C-N 3.34Å; M416-L469 HydrophobicContact CE-CD1 4.13Å; M416-L469 HydrophobicContact CE-CD2 4.32Å; M416-L469 HydrophobicContact CG-CD1 3.94Å; M416-I640 CarbonylContact O-C 3.59Å; M416-I640 VanDerWaalsContact O-CA 3.26Å; M416-I640 WeakPolarHBondContact O-CA 3.25Å; M416-I641 VanDerWaalsContact CB-O 3.3Å; M416-I641 WeakPolarHBondContact CB-O 3.23Å; M416-I641 WeakPolarHBondContact CG-O 3.42Å; M416-I641 PolarHBondContact O-N 3.44Å; M416-P643 HydrophobicContact CE-CG 3.89Å
417	M	97.8	Very high	97.7	Very high	10 Å²	10	7.8 Å²	7.8	5%	0.049	4%	0.043	C	C	.	.	H	α-helix	trans	-94.6	-35.8	-172.6	-62.4	-171.6	80.8	0	0	114.7	W282 H284 V385 L388 D389 V413 Q414 I640	W282-M417 HydrophobicContact CH2-CB 3.64Å; W282-M417 HydrophobicContact CH2-CE 3.91Å; W282-M417 HydrophobicContact CH2-CG 4.38Å; W282-M417 HydrophobicContact CH2-SD 3.89Å; W282-M417 HydrophobicContact CZ2-CB 4.13Å; W282-M417 HydrophobicContact CZ3-CB 4.23Å; W282-M417 HydrophobicContact CZ3-CE 3.99Å; W282-M417 HydrophobicContact CZ3-SD 3.64Å; H284-M417 HydrophobicContact CB-CE 4.41Å; V385-M417 HydrophobicContact CB-CG 4.35Å; V385-M417 HydrophobicContact CB-SD 4.39Å; V385-M417 HydrophobicContact CG1-CE 4.33Å; V385-M417 HydrophobicContact CG1-CG 3.84Å; V385-M417 HydrophobicContact CG1-SD 4.13Å; V385-M417 HydrophobicContact CG2-CG 3.72Å; V385-M417 HydrophobicContact CG2-SD 4.03Å; L388-M417 HydrophobicContact CB-CE 3.96Å; L388-M417 HydrophobicContact CB-SD 4.04Å; L388-M417 HydrophobicContact CD1-SD 3.78Å; D389-M417 HydrophobicContact CB-CE 4.02Å; V413-M417 HydrophobicContact CG1-CG 4.46Å; V413-M417 HydrophobicContact CG1-SD 3.91Å; V413-M417 WeakPolarHBondContact O-CB 3.25Å; V413-M417 VanDerWaalsContact O-CG 3.31Å; V413-M417 WeakPolarHBondContact O-CG 3.42Å; V413-M417 PolarHBondContact O-N 3.32Å; Q414-M417 PolarHBondContact O-N 2.92Å; M417-I640 HydrophobicContact CB-CG1 4.5Å; M417-I640 HydrophobicContact CE-CD1 4.1Å; M417-I640 HydrophobicContact CG-CG1 4.4Å
418	D	97.3	Very high	97.8	Very high	17 Å²	17	8.2 Å²	8.2	9%	0.091	5%	0.045	C	C	.	.			trans	-111	110.5	-169.6	-167.9	-20.1	0	0	0	111.3	R229 W282 Q414 H420 F421	R229-D418 IonicContact CZ-OD2 3.61Å; R229-D418 IonicContact NH1-OD1 2.96Å; R229-D418 PolarHBondContact NH1-OD1 3.38Å; R229-D418 IonicContact NH1-OD2 2.65Å; R229-D418 PolarHBondContact NH1-OD2 3.1Å; R229-D418 IonicContact NH2-OD2 2.85Å; R229-D418 PolarHBondContact NH2-OD2 2.81Å; W282-D418 HydrophobicContact CZ2-CB 4.08Å; W282-D418 PolarHBondContact NE1-OD2 2.87Å; Q414-D418 WeakPolarHBondContact O-CB 3.36Å; Q414-D418 PolarHBondContact O-N 3.4Å; D418-H420 PolarHBondContact O-N 2.87Å; D418-H420 VanDerWaalsContact O-N 3.14Å; D418-H420 WeakPolarHBondContact OD1-CB 3.13Å; D418-H420 PolarHBondContact OD1-N 3.43Å; D418-F421 HydrophobicContact CB-CD2 3.68Å; D418-F421 HydrophobicContact CB-CE2 4.06Å; D418-F421 PolarHBondContact O-N 2.96Å; D418-F421 VanDerWaalsContact O-N 3.14Å
419	P	96.3	Very high	97.7	Very high	24 Å²	24	8.2 Å²	8.2	16%	0.156	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-59.1	-22.1	176.4	26	-35.5	0	0	0	114.1	F421 R422 H638	P419-F421 VanDerWaalsContact C-N 3.27Å; P419-F421 PolarHBondContact O-N 3.21Å; P419-R422 VanDerWaalsContact CA-NH2 3.28Å; P419-R422 VanDerWaalsContact CB-NH2 3.34Å; P419-R422 PolarHBondContact O-N 3.06Å; P419-R422 VanDerWaalsContact O-N 3.14Å; P419-H638 WeakPolarHBondContact CG-O 3.22Å
420	H	96.1	Very high	97.7	Very high	43 Å²	43	8.2 Å²	8.2	20%	0.199	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-56.8	-45.5	174.7	178.6	63.2	0	0	0	110.5	R229 D418 R422 T423 G426	R229-H420 VanDerWaalsContact CZ-CD2 3.48Å; D418-H420 PolarHBondContact O-N 2.87Å; D418-H420 VanDerWaalsContact O-N 3.14Å; D418-H420 WeakPolarHBondContact OD1-CB 3.13Å; D418-H420 PolarHBondContact OD1-N 3.43Å; H420-R422 PolarHBondContact O-N 2.85Å; H420-R422 VanDerWaalsContact O-N 3.1Å; H420-T423 WeakPolarHBondContact O-CB 3.43Å; H420-T423 PolarHBondContact O-N 3.08Å; H420-T423 PolarHBondContact O-OG1 3.32Å; H420-G426 WeakPolarHBondContact O-CA 3.44Å
421	F	97.8	Very high	97.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-73.9	-0.3	-178.3	-58.7	-47.5	0	0	0	114.7	E226 W282 Q414 V415 D418 P419 G426 F427 L430	E226-F421 WeakPolarHBondContact OE1-CZ 3.33Å; W282-F421 AromaticContact CD1-CE2 3.81Å; Q414-F421 HydrophobicContact CB-CD2 3.59Å; Q414-F421 HydrophobicContact CB-CE2 3.71Å; Q414-F421 HydrophobicContact CG-CD2 4.25Å; Q414-F421 HydrophobicContact CG-CE2 3.85Å; V415-F421 HydrophobicContact CG2-CB 4.46Å; D418-F421 HydrophobicContact CB-CD2 3.68Å; D418-F421 HydrophobicContact CB-CE2 4.06Å; D418-F421 PolarHBondContact O-N 2.96Å; D418-F421 VanDerWaalsContact O-N 3.14Å; P419-F421 VanDerWaalsContact C-N 3.27Å; P419-F421 PolarHBondContact O-N 3.21Å; F421-G426 WeakPolarHBondContact CD1-O 3.47Å; F421-F427 WeakPolarHBondContact O-CB 3.46Å; F421-F427 WeakPolarHBondContact O-CD2 3.32Å; F421-L430 HydrophobicContact CB-CB 4.47Å; F421-L430 HydrophobicContact CB-CD2 4.07Å; F421-L430 HydrophobicContact CD1-CB 3.68Å; F421-L430 HydrophobicContact CD1-CD1 4.26Å; F421-L430 HydrophobicContact CD1-CG 4.4Å; F421-L430 HydrophobicContact CD2-CD1 4.22Å; F421-L430 HydrophobicContact CE1-CB 4.05Å; F421-L430 HydrophobicContact CE1-CD1 4.22Å; F421-L430 HydrophobicContact CE2-CD1 4.21Å; F421-L430 HydrophobicContact CG-CB 4.14Å; F421-L430 HydrophobicContact CG-CD1 4.24Å; F421-L430 HydrophobicContact CG-CD2 4.22Å; F421-L430 HydrophobicContact CG-CG 4.44Å; F421-L430 HydrophobicContact CZ-CD1 4.18Å
422	R	98	Very high	97.7	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-97.4	-1.5	170.8	-63	-179.5	-87.5	157.1	0.3	112.9	V415 P419 H420 A476 F477 E478 L637 G639	V415-R422 HydrophobicContact CG1-CG 4.23Å; V415-R422 WeakPolarHBondContact O-CD 3.46Å; V415-R422 PolarHBondContact O-NE 3.2Å; P419-R422 VanDerWaalsContact CA-NH2 3.28Å; P419-R422 VanDerWaalsContact CB-NH2 3.34Å; P419-R422 PolarHBondContact O-N 3.06Å; P419-R422 VanDerWaalsContact O-N 3.14Å; H420-R422 PolarHBondContact O-N 2.85Å; H420-R422 VanDerWaalsContact O-N 3.1Å; R422-A476 WeakPolarHBondContact CB-O 3.32Å; R422-F477 HydrophobicContact CB-CD1 3.81Å; R422-F477 HydrophobicContact CB-CE1 4.14Å; R422-F477 HydrophobicContact CB-CG 4.32Å; R422-F477 HydrophobicContact CG-CD1 3.76Å; R422-F477 HydrophobicContact CG-CE1 3.55Å; R422-F477 HydrophobicContact CG-CG 4.45Å; R422-F477 HydrophobicContact CG-CZ 4.02Å; R422-F477 WeakPolarHBondContact O-CA 3.36Å; R422-E478 PolarHBondContact O-N 3.2Å; R422-L637 PolarHBondContact NH1-O 3.22Å; R422-G639 PolarHBondContact NH2-O 2.96Å
423	T	96.5	Very high	97.6	Very high	27 Å²	27	8.4 Å²	8.4	17%	0.166	5%	0.046	C	C	.	.	S	Bend	trans	-84.6	158.9	167	68.5	0	0	0	0	110.6	H420 G426 F427 E478	H420-T423 WeakPolarHBondContact O-CB 3.43Å; H420-T423 PolarHBondContact O-N 3.08Å; H420-T423 PolarHBondContact O-OG1 3.32Å; T423-G426 PolarHBondContact O-N 3.31Å; T423-G426 WeakPolarHBondContact OG1-CA 3.44Å; T423-G426 PolarHBondContact OG1-N 2.9Å; T423-F427 VanDerWaalsContact O-CB 3.27Å; T423-F427 WeakPolarHBondContact O-CB 3.29Å; T423-F427 PolarHBondContact O-N 2.92Å; T423-E478 WeakPolarHBondContact CA-OE2 3.33Å; T423-E478 WeakPolarHBondContact CB-OE2 3.5Å
424	I	95.5	Very high	97.6	Very high	17 Å²	17	8.5 Å²	8.5	9%	0.087	5%	0.046	C	C	.	.	H	α-helix	trans	-58.3	-56.9	176.5	-72	170.4	0	0	0	109.6	G426 F427 Q428 E478 F479 Y483 F548 H549	I424-G426 VanDerWaalsContact C-N 3.32Å; I424-G426 PolarHBondContact O-N 3.34Å; I424-F427 PolarHBondContact O-N 3.36Å; I424-Q428 VanDerWaalsContact CG2-NE2 3.28Å; I424-Q428 VanDerWaalsContact O-CG 3.24Å; I424-Q428 WeakPolarHBondContact O-CG 3.33Å; I424-Q428 PolarHBondContact O-N 3.24Å; I424-E478 HydrophobicContact CD1-CG 4.33Å; I424-E478 HydrophobicContact CG1-CG 4.22Å; I424-E478 PolarHBondContact N-OE2 3.19Å; I424-F479 HydrophobicContact CG1-CB 3.79Å; I424-Y483 HydrophobicContact CG2-CE2 4.39Å; I424-F548 HydrophobicContact CD1-CB 4.31Å; I424-H549 WeakPolarHBondContact CD1-CE1 3.42Å
425	T	95.6	Very high	97.5	Very high	25 Å²	25	8.5 Å²	8.5	15%	0.153	5%	0.046	C	C	.	.	H	α-helix	trans	-62	-40.6	-178.6	-56	0	0	0	0	111.8	Q212 Q428 S429	Q212-T425 HydrophobicContact CB-CG2 4.27Å; Q212-T425 VanDerWaalsContact O-CG2 3.31Å; Q212-T425 WeakPolarHBondContact O-CG2 3.5Å; T425-Q428 PolarHBondContact O-N 3.28Å; T425-S429 WeakPolarHBondContact O-CB 3.49Å; T425-S429 PolarHBondContact O-N 3.02Å
426	G	97.2	Very high	97.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-64	-45.5	177.6	0	0	0	0	0	112.1	H420 F421 T423 I424 Q428 S429 L430	H420-G426 WeakPolarHBondContact O-CA 3.44Å; F421-G426 WeakPolarHBondContact CD1-O 3.47Å; T423-G426 PolarHBondContact O-N 3.31Å; T423-G426 WeakPolarHBondContact OG1-CA 3.44Å; T423-G426 PolarHBondContact OG1-N 2.9Å; I424-G426 VanDerWaalsContact C-N 3.32Å; I424-G426 PolarHBondContact O-N 3.34Å; G426-Q428 VanDerWaalsContact C-N 3.32Å; G426-Q428 PolarHBondContact O-N 2.69Å; G426-S429 CarbonylContact O-C 3.58Å; G426-S429 WeakPolarHBondContact O-CB 3.22Å; G426-S429 PolarHBondContact O-N 3.21Å; G426-S429 VanDerWaalsContact O-N 3.1Å; G426-S429 PolarHBondContact O-OG 3.19Å; G426-L430 PolarHBondContact O-N 3.44Å
427	F	98.6	Very high	97.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-63.5	-37.9	177.4	-167.7	-106.2	0	0	0	112.5	V415 F421 T423 I424 S429 L430 I431 F462 L463 T466 F479 Y483 L484 L487	V415-F427 HydrophobicContact CG2-CD2 4.29Å; V415-F427 HydrophobicContact CG2-CE2 4.16Å; F421-F427 WeakPolarHBondContact O-CB 3.46Å; F421-F427 WeakPolarHBondContact O-CD2 3.32Å; T423-F427 VanDerWaalsContact O-CB 3.27Å; T423-F427 WeakPolarHBondContact O-CB 3.29Å; T423-F427 PolarHBondContact O-N 2.92Å; I424-F427 PolarHBondContact O-N 3.36Å; F427-S429 VanDerWaalsContact C-N 3.35Å; F427-L430 HydrophobicContact CD2-CD2 4.44Å; F427-L430 WeakPolarHBondContact O-CB 3.43Å; F427-L430 PolarHBondContact O-N 3.25Å; F427-I431 HydrophobicContact CD1-CD1 3.71Å; F427-I431 HydrophobicContact CE1-CD1 3.37Å; F427-I431 HydrophobicContact CE1-CG1 4.35Å; F427-I431 HydrophobicContact CZ-CD1 3.93Å; F427-I431 WeakPolarHBondContact O-CG1 3.38Å; F427-I431 PolarHBondContact O-N 2.86Å; F427-F462 HydrophobicContact CE2-CE1 4.02Å; F427-F462 AromaticContact CE2-CZ 3.6Å; F427-F462 HydrophobicContact CE2-CZ 3.6Å; F427-F462 AromaticContact CZ-CE1 3.65Å; F427-F462 HydrophobicContact CZ-CE1 3.65Å; F427-F462 AromaticContact CZ-CZ 3.73Å; F427-F462 HydrophobicContact CZ-CZ 3.73Å; F427-L463 HydrophobicContact CE1-CD2 4.14Å; F427-L463 HydrophobicContact CZ-CD2 4.04Å; F427-T466 HydrophobicContact CE2-CG2 3.76Å; F427-T466 HydrophobicContact CZ-CG2 3.97Å; F427-F479 HydrophobicContact CB-CD1 4.07Å; F427-F479 HydrophobicContact CB-CE1 3.64Å; F427-F479 HydrophobicContact CB-CZ 4.48Å; F427-F479 HydrophobicContact CD1-CE1 4.26Å; F427-F479 HydrophobicContact CD1-CZ 4.44Å; F427-F479 AromaticContact CD2-CE1 3.81Å; F427-F479 HydrophobicContact CD2-CE1 3.81Å; F427-F479 AromaticContact CD2-CZ 3.85Å; F427-F479 HydrophobicContact CD2-CZ 3.85Å; F427-F479 HydrophobicContact CE2-CZ 4.12Å; F427-F479 HydrophobicContact CG-CD1 4.33Å; F427-F479 AromaticContact CG-CE1 3.65Å; F427-F479 HydrophobicContact CG-CE1 3.65Å; F427-F479 HydrophobicContact CG-CZ 4.02Å; F427-F479 HydrophobicContact CZ-CZ 4.49Å; F427-Y483 AromaticContact CD1-CE1 3.84Å; F427-Y483 HydrophobicContact CD1-CE1 3.84Å; F427-Y483 HydrophobicContact CE1-CE1 4.36Å; F427-L484 HydrophobicContact CE1-CD2 3.72Å; F427-L484 HydrophobicContact CZ-CD2 3.9Å; F427-L487 HydrophobicContact CD1-CD2 4.4Å; F427-L487 HydrophobicContact CE1-CD2 3.89Å
428	Q	98.1	Very high	97	Very high	9 Å²	9	9 Å²	9	4%	0.042	5%	0.05	C	C	.	.	H	α-helix	trans	-61.3	-44.7	171.4	-63.9	177.5	9.8	0	0	111.4	T214 I424 T425 G426 L430 I431 Q432 Y483 W534	T214-Q428 HydrophobicContact CG2-CB 3.48Å; T214-Q428 VanDerWaalsContact CG2-CB 3.48Å; T214-Q428 PolarHBondContact OG1-OE1 3.18Å; I424-Q428 VanDerWaalsContact CG2-NE2 3.28Å; I424-Q428 VanDerWaalsContact O-CG 3.24Å; I424-Q428 WeakPolarHBondContact O-CG 3.33Å; I424-Q428 PolarHBondContact O-N 3.24Å; T425-Q428 PolarHBondContact O-N 3.28Å; G426-Q428 VanDerWaalsContact C-N 3.32Å; G426-Q428 PolarHBondContact O-N 2.69Å; Q428-L430 VanDerWaalsContact C-N 3.31Å; Q428-L430 PolarHBondContact O-N 2.65Å; Q428-I431 PolarHBondContact O-N 3.25Å; Q428-Q432 VanDerWaalsContact O-CB 3.26Å; Q428-Q432 WeakPolarHBondContact O-CB 3.31Å; Q428-Q432 PolarHBondContact O-N 3.28Å; Q428-Y483 WeakPolarHBondContact CG-OH 3.44Å; Q428-Y483 PolarHBondContact NE2-OH 3.25Å; Q428-W534 HydrophobicContact CB-CD2 3.85Å; Q428-W534 HydrophobicContact CB-CE3 3.78Å; Q428-W534 HydrophobicContact CB-CG 4.5Å; Q428-W534 HydrophobicContact CB-CH2 4.13Å; Q428-W534 HydrophobicContact CB-CZ2 4.2Å; Q428-W534 HydrophobicContact CB-CZ3 3.93Å; Q428-W534 HydrophobicContact CG-CD2 3.93Å; Q428-W534 HydrophobicContact CG-CE3 3.36Å; Q428-W534 HydrophobicContact CG-CH2 4.2Å; Q428-W534 HydrophobicContact CG-CZ3 3.53Å; Q428-W534 WeakPolarHBondContact O-CZ2 3.42Å
429	S	97.8	Very high	96.8	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.007	5%	0.045	C	C	.	.	H	α-helix	trans	-63.1	-37.7	177.3	83.7	0	0	0	0	112	F217 T425 G426 F427 Q432 K433	F217-S429 WeakPolarHBondContact CE2-O 3.25Å; T425-S429 WeakPolarHBondContact O-CB 3.49Å; T425-S429 PolarHBondContact O-N 3.02Å; G426-S429 CarbonylContact O-C 3.58Å; G426-S429 WeakPolarHBondContact O-CB 3.22Å; G426-S429 PolarHBondContact O-N 3.21Å; G426-S429 VanDerWaalsContact O-N 3.1Å; G426-S429 PolarHBondContact O-OG 3.19Å; F427-S429 VanDerWaalsContact C-N 3.35Å; S429-Q432 PolarHBondContact O-N 3.44Å; S429-K433 VanDerWaalsContact O-CB 3.24Å; S429-K433 WeakPolarHBondContact O-CB 3.3Å; S429-K433 PolarHBondContact O-N 3.14Å
430	L	98.6	Very high	96.8	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-61.8	-50	176.1	-179.9	65.9	0	0	0	110.9	Q414 V415 F421 G426 F427 Q428 Q432 K433 E434 F462	Q414-L430 HydrophobicContact CB-CD1 3.88Å; Q414-L430 HydrophobicContact CG-CD1 4.37Å; V415-L430 HydrophobicContact CG2-CD2 3.57Å; F421-L430 HydrophobicContact CB-CB 4.47Å; F421-L430 HydrophobicContact CB-CD2 4.07Å; F421-L430 HydrophobicContact CD1-CB 3.68Å; F421-L430 HydrophobicContact CD1-CD1 4.26Å; F421-L430 HydrophobicContact CD1-CG 4.4Å; F421-L430 HydrophobicContact CD2-CD1 4.22Å; F421-L430 HydrophobicContact CE1-CB 4.05Å; F421-L430 HydrophobicContact CE1-CD1 4.22Å; F421-L430 HydrophobicContact CE2-CD1 4.21Å; F421-L430 HydrophobicContact CG-CB 4.14Å; F421-L430 HydrophobicContact CG-CD1 4.24Å; F421-L430 HydrophobicContact CG-CD2 4.22Å; F421-L430 HydrophobicContact CG-CG 4.44Å; F421-L430 HydrophobicContact CZ-CD1 4.18Å; G426-L430 PolarHBondContact O-N 3.44Å; F427-L430 HydrophobicContact CD2-CD2 4.44Å; F427-L430 WeakPolarHBondContact O-CB 3.43Å; F427-L430 PolarHBondContact O-N 3.25Å; Q428-L430 VanDerWaalsContact C-N 3.31Å; Q428-L430 PolarHBondContact O-N 2.65Å; L430-Q432 VanDerWaalsContact C-N 3.34Å; L430-Q432 PolarHBondContact O-N 3.34Å; L430-K433 PolarHBondContact O-N 3.1Å; L430-E434 HydrophobicContact CD1-CG 3.71Å; L430-E434 WeakPolarHBondContact O-CB 3.4Å; L430-E434 PolarHBondContact O-N 3.3Å; L430-F462 HydrophobicContact CD2-CZ 4.4Å
431	I	98.7	Very high	96.8	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-63.4	-44.7	179.5	-69.6	170.3	0	0	0	110.6	F427 Q428 K433 W435 V436 F459 F462 L487 F499 W534	F427-I431 HydrophobicContact CD1-CD1 3.71Å; F427-I431 HydrophobicContact CE1-CD1 3.37Å; F427-I431 HydrophobicContact CE1-CG1 4.35Å; F427-I431 HydrophobicContact CZ-CD1 3.93Å; F427-I431 WeakPolarHBondContact O-CG1 3.38Å; F427-I431 PolarHBondContact O-N 2.86Å; Q428-I431 PolarHBondContact O-N 3.25Å; I431-K433 VanDerWaalsContact C-N 3.3Å; I431-K433 PolarHBondContact O-N 3.35Å; I431-W435 HydrophobicContact CG2-CB 4.36Å; I431-W435 WeakPolarHBondContact O-CA 3.43Å; I431-W435 VanDerWaalsContact O-CB 3.26Å; I431-W435 WeakPolarHBondContact O-CB 3.29Å; I431-W435 PolarHBondContact O-N 3.36Å; I431-V436 PolarHBondContact O-N 2.97Å; I431-V436 VanDerWaalsContact O-N 3.14Å; I431-F459 HydrophobicContact CD1-CE2 4.21Å; I431-F459 HydrophobicContact CD1-CZ 4.03Å; I431-F459 HydrophobicContact CG1-CE2 4.28Å; I431-F459 HydrophobicContact CG2-CE2 3.94Å; I431-F459 HydrophobicContact CG2-CZ 4.1Å; I431-F462 HydrophobicContact CD1-CE1 4.19Å; I431-F462 HydrophobicContact CG1-CE1 3.98Å; I431-L487 HydrophobicContact CD1-CD2 3.5Å; I431-F499 HydrophobicContact CG2-CE1 3.89Å; I431-F499 HydrophobicContact CG2-CZ 4.19Å; I431-W534 HydrophobicContact CB-CH2 3.98Å; I431-W534 HydrophobicContact CB-CZ2 4.13Å; I431-W534 HydrophobicContact CD1-CH2 4.25Å; I431-W534 HydrophobicContact CG2-CH2 3.89Å; I431-W534 HydrophobicContact CG2-CZ2 3.99Å
432	Q	98.1	Very high	96.7	Very high	4 Å²	4	5.6 Å²	5.6	2%	0.019	3%	0.031	C	C	.	.	I	π-helix	trans	-59.5	-42.4	177.7	-172.9	62.2	46.3	0	0	111.7	P215 L216 F217 Q428 S429 L430 V436 M437 W534	P215-Q432 WeakPolarHBondContact O-CG 3.45Å; L216-Q432 HydrophobicContact CD2-CG 4.41Å; L216-Q432 WeakPolarHBondContact O-CG 3.47Å; L216-Q432 PolarHBondContact O-NE2 2.75Å; L216-Q432 VanDerWaalsContact O-NE2 3.1Å; F217-Q432 HydrophobicContact CD2-CB 4.44Å; F217-Q432 HydrophobicContact CD2-CG 4.23Å; Q428-Q432 VanDerWaalsContact O-CB 3.26Å; Q428-Q432 WeakPolarHBondContact O-CB 3.31Å; Q428-Q432 PolarHBondContact O-N 3.28Å; S429-Q432 PolarHBondContact O-N 3.44Å; L430-Q432 VanDerWaalsContact C-N 3.34Å; L430-Q432 PolarHBondContact O-N 3.34Å; Q432-V436 WeakPolarHBondContact O-CB 3.38Å; Q432-M437 WeakPolarHBondContact O-CG 3.5Å; Q432-M437 PolarHBondContact O-N 2.9Å; Q432-W534 HydrophobicContact CB-CZ2 4.47Å
433	K	97.4	Very high	96.6	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.032	C	C	.	.	I	π-helix	trans	-70.2	-61.7	177.6	-171.3	-179.6	63.4	167.5	0	112.1	F217 W223 E226 C281 S429 L430 I431 V438	F217-K433 HydrophobicContact CD1-CD 4.48Å; F217-K433 HydrophobicContact CD1-CG 4.27Å; F217-K433 HydrophobicContact CD2-CB 3.82Å; F217-K433 HydrophobicContact CD2-CG 4.44Å; F217-K433 HydrophobicContact CE1-CB 4.44Å; F217-K433 HydrophobicContact CE1-CD 3.95Å; F217-K433 HydrophobicContact CE1-CG 4.2Å; F217-K433 HydrophobicContact CE2-CB 3.73Å; F217-K433 HydrophobicContact CE2-CG 4.37Å; F217-K433 HydrophobicContact CG-CB 4.22Å; F217-K433 HydrophobicContact CG-CG 4.39Å; F217-K433 HydrophobicContact CZ-CB 4.06Å; F217-K433 HydrophobicContact CZ-CD 3.97Å; F217-K433 HydrophobicContact CZ-CG 4.25Å; W223-K433 HydrophobicContact CH2-CG 3.87Å; W223-K433 HydrophobicContact CZ3-CD 4.12Å; W223-K433 HydrophobicContact CZ3-CG 3.87Å; E226-K433 HydrophobicContact CG-CD 4.28Å; E226-K433 IonicContact OE1-NZ 2.71Å; E226-K433 PolarHBondContact OE1-NZ 2.84Å; C281-K433 PolarHBondContact O-NZ 3.44Å; S429-K433 VanDerWaalsContact O-CB 3.24Å; S429-K433 WeakPolarHBondContact O-CB 3.3Å; S429-K433 PolarHBondContact O-N 3.14Å; L430-K433 PolarHBondContact O-N 3.1Å; I431-K433 VanDerWaalsContact C-N 3.3Å; I431-K433 PolarHBondContact O-N 3.35Å; K433-V438 WeakPolarHBondContact O-CG2 3.45Å; K433-V438 PolarHBondContact O-N 3.46Å
434	E	97.5	Very high	96.5	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	3%	0.034	C	C	.	.	I	π-helix	trans	-81.4	-21.3	-166.1	-67	-62.5	159.5	0	0	114.6	C281 R292 C407 S411 Q414 L430	C281-E434 VanDerWaalsContact CB-OE1 3.26Å; C281-E434 WeakPolarHBondContact CB-OE1 3.37Å; C281-E434 PolarHBondContact SG-OE1 3.28Å; C281-E434 PolarHBondContact SG-OE2 3.38Å; C281-E434 VanDerWaalsContact SG-OE2 3.34Å; R292-E434 PolarHBondContact NH1-O 3Å; R292-E434 IonicContact NH1-OE2 2.85Å; R292-E434 PolarHBondContact NH1-OE2 3.08Å; R292-E434 VanDerWaalsContact NH1-OE2 3.15Å; C407-E434 PolarHBondContact SG-O 3.06Å; C407-E434 VanDerWaalsContact SG-O 3.32Å; S411-E434 WeakPolarHBondContact OG-CB 3.4Å; Q414-E434 PolarHBondContact NE2-OE1 3.09Å; L430-E434 HydrophobicContact CD1-CG 3.71Å; L430-E434 WeakPolarHBondContact O-CB 3.4Å; L430-E434 PolarHBondContact O-N 3.3Å
435	W	97.9	Very high	96.5	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.031	C	C	.	.	I	π-helix	trans	-111.3	-55.9	-178.1	-60.7	72.3	0	0	0	111.5	C407 L408 S411 I431 G439 Y440 F442 L458 F459 F462	C407-W435 HydrophobicContact CB-CD2 3.84Å; C407-W435 HydrophobicContact CB-CE3 3.92Å; C407-W435 HydrophobicContact CB-CG 4.43Å; C407-W435 HydrophobicContact CB-CH2 4.06Å; C407-W435 HydrophobicContact CB-CZ2 3.97Å; C407-W435 HydrophobicContact CB-CZ3 4.03Å; L408-W435 HydrophobicContact CB-CH2 4.07Å; L408-W435 HydrophobicContact CB-CZ2 4.13Å; S411-W435 PolarHBondContact OG-NE1 3.07Å; I431-W435 HydrophobicContact CG2-CB 4.36Å; I431-W435 WeakPolarHBondContact O-CA 3.43Å; I431-W435 VanDerWaalsContact O-CB 3.26Å; I431-W435 WeakPolarHBondContact O-CB 3.29Å; I431-W435 PolarHBondContact O-N 3.36Å; W435-G439 PolarHBondContact O-N 3.03Å; W435-Y440 AromaticContact CE3-CD1 3.77Å; W435-Y440 HydrophobicContact CE3-CD1 3.77Å; W435-Y440 AromaticContact CE3-CD2 3.7Å; W435-Y440 HydrophobicContact CE3-CD2 3.7Å; W435-Y440 HydrophobicContact CE3-CE1 4.08Å; W435-Y440 HydrophobicContact CE3-CE2 4.07Å; W435-Y440 AromaticContact CE3-CG 3.56Å; W435-Y440 HydrophobicContact CE3-CG 3.56Å; W435-Y440 HydrophobicContact CZ3-CD1 4.23Å; W435-Y440 AromaticContact CZ3-CD2 3.74Å; W435-Y440 HydrophobicContact CZ3-CD2 3.74Å; W435-Y440 HydrophobicContact CZ3-CE1 4.12Å; W435-Y440 AromaticContact CZ3-CE2 3.67Å; W435-Y440 HydrophobicContact CZ3-CE2 3.67Å; W435-Y440 HydrophobicContact CZ3-CG 4.05Å; W435-Y440 AromaticContact CZ3-CZ 3.84Å; W435-Y440 WeakPolarHBondContact O-CB 3.36Å; W435-Y440 PolarHBondContact O-N 2.73Å; W435-F442 HydrophobicContact CB-CE2 3.98Å; W435-F442 HydrophobicContact CB-CZ 3.95Å; W435-F442 HydrophobicContact CE3-CZ 4.42Å; W435-L458 HydrophobicContact CH2-CG 4.44Å; W435-F459 AromaticContact CD2-CD2 3.69Å; W435-F459 HydrophobicContact CD2-CD2 3.69Å; W435-F459 HydrophobicContact CD2-CE2 4.1Å; W435-F459 HydrophobicContact CE3-CB 4.32Å; W435-F459 AromaticContact CE3-CD2 3.55Å; W435-F459 HydrophobicContact CE3-CD2 3.55Å; W435-F459 HydrophobicContact CE3-CE2 4.38Å; W435-F459 HydrophobicContact CE3-CG 4.39Å; W435-F459 HydrophobicContact CG-CD2 4.35Å; W435-F459 HydrophobicContact CG-CE2 4.33Å; W435-F459 HydrophobicContact CH2-CB 4.4Å; W435-F459 HydrophobicContact CH2-CD2 4.09Å; W435-F459 HydrophobicContact CZ2-CD2 4.22Å; W435-F459 HydrophobicContact CZ3-CB 3.89Å; W435-F459 AromaticContact CZ3-CD2 3.77Å; W435-F459 HydrophobicContact CZ3-CD2 3.77Å; W435-F459 HydrophobicContact CZ3-CG 4.34Å; W435-F462 AromaticContact CE2-CD1 3.94Å; W435-F462 HydrophobicContact CH2-CB 3.69Å; W435-F462 HydrophobicContact CH2-CG 4.2Å; W435-F462 HydrophobicContact CZ2-CB 3.43Å; W435-F462 VanDerWaalsContact CZ2-CB 3.43Å; W435-F462 AromaticContact CZ2-CD1 3.69Å; W435-F462 HydrophobicContact CZ2-CD1 3.69Å; W435-F462 HydrophobicContact CZ2-CD2 4.06Å; W435-F462 HydrophobicContact CZ2-CE1 4.49Å; W435-F462 AromaticContact CZ2-CG 3.43Å; W435-F462 HydrophobicContact CZ2-CG 3.43Å; W435-F462 VanDerWaalsContact CZ2-CG 3.43Å
436	V	97.4	Very high	96.4	Very high	13 Å²	13	5.5 Å²	5.5	8%	0.079	3%	0.03	C	C	.	.	I	π-helix	trans	-74.2	-56.8	-171.8	-175.1	0	0	0	0	111.1	I431 Q432 G439 F442 T498 F499	I431-V436 PolarHBondContact O-N 2.97Å; I431-V436 VanDerWaalsContact O-N 3.14Å; Q432-V436 WeakPolarHBondContact O-CB 3.38Å; V436-G439 PolarHBondContact O-N 2.8Å; V436-F442 HydrophobicContact CG2-CE2 4.07Å; V436-T498 HydrophobicContact CG2-CG2 3.68Å; V436-T498 WeakPolarHBondContact CG2-O 3.46Å; V436-F499 HydrophobicContact CG2-CD1 4.48Å; V436-F499 HydrophobicContact CG2-CE1 4.3Å
437	M	95.5	Very high	96.2	Very high	5 Å²	5	6.3 Å²	6.3	3%	0.025	3%	0.034	C	C	.	.	I	π-helix	trans	-72.8	-33.6	-175	-68.4	-44.8	-63.5	0	0	113.2	L216 F217 E218 W223 P251 Q432 G439 P504	L216-M437 WeakPolarHBondContact O-CG 3.34Å; F217-M437 HydrophobicContact CB-CB 4.37Å; F217-M437 HydrophobicContact CB-CG 3.65Å; F217-M437 WeakPolarHBondContact O-CE 3.26Å; E218-M437 HydrophobicContact CG-CE 4.02Å; E218-M437 HydrophobicContact CG-SD 3.99Å; W223-M437 HydrophobicContact CZ2-CB 4.33Å; P251-M437 HydrophobicContact CB-CB 4.43Å; P251-M437 HydrophobicContact CB-CE 3.97Å; P251-M437 WeakPolarHBondContact CD-O 3.25Å; Q432-M437 WeakPolarHBondContact O-CG 3.5Å; Q432-M437 PolarHBondContact O-N 2.9Å; M437-G439 PolarHBondContact O-N 2.96Å; M437-P504 HydrophobicContact CE-CB 4.01Å; M437-P504 HydrophobicContact CE-CG 3.67Å; M437-P504 WeakPolarHBondContact O-CG 3.48Å; M437-P504 HydrophobicContact SD-CG 4.06Å
438	V	90.3	Very high	95.9	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.012	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-10.6	177	170.5	0	0	0	0	112.6	R276 F279 K433	R276-V438 VanDerWaalsContact CZ-O 3.28Å; R276-V438 PolarHBondContact NH1-O 3.49Å; R276-V438 PolarHBondContact NH2-O 3.13Å; F279-V438 HydrophobicContact CD2-CG2 4.46Å; F279-V438 HydrophobicContact CE1-CG1 4.18Å; F279-V438 HydrophobicContact CE2-CG1 4.03Å; F279-V438 HydrophobicContact CE2-CG2 3.56Å; F279-V438 HydrophobicContact CZ-CB 4.29Å; F279-V438 HydrophobicContact CZ-CG1 3.38Å; F279-V438 HydrophobicContact CZ-CG2 3.8Å; K433-V438 WeakPolarHBondContact O-CG2 3.45Å; K433-V438 PolarHBondContact O-N 3.46Å
439	G	94.4	Very high	95.5	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	39.6	169.7	0	0	0	0	0	114.5	R403 W435 V436 M437 N502	R403-G439 WeakPolarHBondContact CD-O 3.47Å; W435-G439 PolarHBondContact O-N 3.03Å; V436-G439 PolarHBondContact O-N 2.8Å; M437-G439 PolarHBondContact O-N 2.96Å; G439-N502 CarbonylContact C-O 3.55Å; G439-N502 VanDerWaalsContact O-O 3.08Å
440	Y	96.1	Very high	94.9	Very high	3 Å²	3	9.4 Å²	9.4	1%	0.012	5%	0.048	C	C	.	.			trans	-57.5	136.7	164.3	179.5	-103.3	0	0	0	109.5	R403 D404 W435 F442 R445 L458 F459	R403-Y440 VanDerWaalsContact O-CD2 3.25Å; R403-Y440 WeakPolarHBondContact O-CD2 3.48Å; D404-Y440 WeakPolarHBondContact OD1-CE2 3.24Å; W435-Y440 AromaticContact CE3-CD1 3.77Å; W435-Y440 HydrophobicContact CE3-CD1 3.77Å; W435-Y440 AromaticContact CE3-CD2 3.7Å; W435-Y440 HydrophobicContact CE3-CD2 3.7Å; W435-Y440 HydrophobicContact CE3-CE1 4.08Å; W435-Y440 HydrophobicContact CE3-CE2 4.07Å; W435-Y440 AromaticContact CE3-CG 3.56Å; W435-Y440 HydrophobicContact CE3-CG 3.56Å; W435-Y440 HydrophobicContact CZ3-CD1 4.23Å; W435-Y440 AromaticContact CZ3-CD2 3.74Å; W435-Y440 HydrophobicContact CZ3-CD2 3.74Å; W435-Y440 HydrophobicContact CZ3-CE1 4.12Å; W435-Y440 AromaticContact CZ3-CE2 3.67Å; W435-Y440 HydrophobicContact CZ3-CE2 3.67Å; W435-Y440 HydrophobicContact CZ3-CG 4.05Å; W435-Y440 AromaticContact CZ3-CZ 3.84Å; W435-Y440 WeakPolarHBondContact O-CB 3.36Å; W435-Y440 PolarHBondContact O-N 2.73Å; Y440-F442 HydrophobicContact CD1-CB 4.44Å; Y440-F442 AromaticContact CD1-CD1 3.71Å; Y440-F442 HydrophobicContact CD1-CD1 3.71Å; Y440-F442 AromaticContact CD1-CD2 3.65Å; Y440-F442 HydrophobicContact CD1-CD2 3.65Å; Y440-F442 AromaticContact CD1-CE1 3.72Å; Y440-F442 HydrophobicContact CD1-CE1 3.72Å; Y440-F442 AromaticContact CD1-CE2 3.66Å; Y440-F442 HydrophobicContact CD1-CE2 3.66Å; Y440-F442 AromaticContact CD1-CG 3.66Å; Y440-F442 HydrophobicContact CD1-CG 3.66Å; Y440-F442 AromaticContact CD1-CZ 3.69Å; Y440-F442 HydrophobicContact CD1-CZ 3.69Å; Y440-F442 AromaticContact CE1-CD1 3.77Å; Y440-F442 HydrophobicContact CE1-CD1 3.77Å; Y440-F442 AromaticContact CE1-CE1 3.85Å; Y440-F442 HydrophobicContact CE1-CE1 3.85Å; Y440-F442 HydrophobicContact CE1-CG 4.1Å; Y440-F442 HydrophobicContact CE1-CZ 4.26Å; Y440-F442 HydrophobicContact CG-CE2 4.39Å; Y440-F442 PolarHBondContact O-N 3.21Å; Y440-R445 HydrophobicContact CE1-CB 4.03Å; Y440-R445 HydrophobicContact CE1-CG 4.08Å; Y440-R445 HydrophobicContact CE2-CG 4.04Å; Y440-R445 WeakPolarHBondContact OH-CB 3.37Å; Y440-R445 WeakPolarHBondContact OH-CG 3.45Å; Y440-L458 HydrophobicContact CE2-CB 4.37Å; Y440-L458 HydrophobicContact CE2-CD2 4.05Å; Y440-F459 HydrophobicContact CE1-CB 4.27Å
441	Q	95.2	Very high	93.9	Very high	9 Å²	9	17 Å²	17	4%	0.042	8%	0.077	C	C	.	.			trans	-82.3	59.9	-168.1	-64.3	177.2	85	0	0	111.9	E401 R403 L443 D444 R445 N502	E401-Q441 PolarHBondContact OE2-NE2 3.09Å; R403-Q441 VanDerWaalsContact CZ-NE2 3.33Å; R403-Q441 VanDerWaalsContact NH2-CD 3.33Å; Q441-L443 VanDerWaalsContact C-N 3.31Å; Q441-L443 PolarHBondContact O-N 3.31Å; Q441-D444 HydrophobicContact CB-CB 4.3Å; Q441-D444 PolarHBondContact O-N 3.26Å; Q441-D444 VanDerWaalsContact O-N 3.16Å; Q441-R445 HydrophobicContact CB-CG 4.16Å; Q441-R445 VanDerWaalsContact NE2-NH2 3.15Å; Q441-R445 VanDerWaalsContact O-CB 3.27Å; Q441-R445 WeakPolarHBondContact O-CB 3.49Å; Q441-R445 WeakPolarHBondContact O-CG 3.22Å; Q441-R445 PolarHBondContact O-N 2.96Å; Q441-N502 WeakPolarHBondContact CA-OD1 3.4Å; Q441-N502 HydrophobicContact CB-CB 4.23Å; Q441-N502 WeakPolarHBondContact CB-OD1 3.42Å; Q441-N502 HydrophobicContact CG-CB 4.18Å; Q441-N502 PolarHBondContact O-OD1 2.93Å
442	F	96.4	Very high	92.8	Very high	1 Å²	1	18.2 Å²	18.2	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-54.4	-42.3	-172.5	-81.2	-75.9	0	0	0	113.4	W435 V436 Y440 D444 C446 F459 F499 N502	W435-F442 HydrophobicContact CB-CE2 3.98Å; W435-F442 HydrophobicContact CB-CZ 3.95Å; W435-F442 HydrophobicContact CE3-CZ 4.42Å; V436-F442 HydrophobicContact CG2-CE2 4.07Å; Y440-F442 HydrophobicContact CD1-CB 4.44Å; Y440-F442 AromaticContact CD1-CD1 3.71Å; Y440-F442 HydrophobicContact CD1-CD1 3.71Å; Y440-F442 AromaticContact CD1-CD2 3.65Å; Y440-F442 HydrophobicContact CD1-CD2 3.65Å; Y440-F442 AromaticContact CD1-CE1 3.72Å; Y440-F442 HydrophobicContact CD1-CE1 3.72Å; Y440-F442 AromaticContact CD1-CE2 3.66Å; Y440-F442 HydrophobicContact CD1-CE2 3.66Å; Y440-F442 AromaticContact CD1-CG 3.66Å; Y440-F442 HydrophobicContact CD1-CG 3.66Å; Y440-F442 AromaticContact CD1-CZ 3.69Å; Y440-F442 HydrophobicContact CD1-CZ 3.69Å; Y440-F442 AromaticContact CE1-CD1 3.77Å; Y440-F442 HydrophobicContact CE1-CD1 3.77Å; Y440-F442 AromaticContact CE1-CE1 3.85Å; Y440-F442 HydrophobicContact CE1-CE1 3.85Å; Y440-F442 HydrophobicContact CE1-CG 4.1Å; Y440-F442 HydrophobicContact CE1-CZ 4.26Å; Y440-F442 HydrophobicContact CG-CE2 4.39Å; Y440-F442 PolarHBondContact O-N 3.21Å; F442-D444 VanDerWaalsContact C-N 3.35Å; F442-D444 PolarHBondContact O-N 3.44Å; F442-C446 WeakPolarHBondContact O-CB 3.31Å; F442-C446 PolarHBondContact O-N 3.32Å; F442-C446 PolarHBondContact O-SG 3.37Å; F442-F459 HydrophobicContact CE1-CB 4.27Å; F442-F459 HydrophobicContact CE1-CD1 4.16Å; F442-F459 HydrophobicContact CE1-CD2 4.07Å; F442-F459 HydrophobicContact CE1-CE2 4.44Å; F442-F459 AromaticContact CE1-CG 3.9Å; F442-F459 HydrophobicContact CE1-CG 3.9Å; F442-F459 HydrophobicContact CZ-CD2 4.12Å; F442-F459 HydrophobicContact CZ-CE2 4.25Å; F442-F459 HydrophobicContact CZ-CG 4.42Å; F442-F499 WeakPolarHBondContact CB-O 3.46Å; F442-F499 HydrophobicContact CD1-CB 4.03Å; F442-F499 AromaticContact CD1-CD1 3.93Å; F442-F499 HydrophobicContact CD1-CD1 3.93Å; F442-F499 HydrophobicContact CD1-CG 4.27Å; F442-F499 HydrophobicContact CD2-CD1 4.13Å; F442-F499 HydrophobicContact CE1-CB 4.42Å; F442-F499 AromaticContact CE1-CD1 3.49Å; F442-F499 HydrophobicContact CE1-CD1 3.49Å; F442-F499 VanDerWaalsContact CE1-CD1 3.49Å; F442-F499 HydrophobicContact CE1-CE1 4.01Å; F442-F499 HydrophobicContact CE1-CG 4.15Å; F442-F499 AromaticContact CE2-CD1 3.71Å; F442-F499 HydrophobicContact CE2-CD1 3.71Å; F442-F499 HydrophobicContact CE2-CE1 4.22Å; F442-F499 HydrophobicContact CG-CB 4.2Å; F442-F499 HydrophobicContact CG-CD1 4.24Å; F442-F499 AromaticContact CZ-CD1 3.38Å; F442-F499 HydrophobicContact CZ-CD1 3.38Å; F442-F499 AromaticContact CZ-CE1 3.66Å; F442-F499 HydrophobicContact CZ-CE1 3.66Å; F442-F499 HydrophobicContact CZ-CG 4.44Å; F442-N502 PolarHBondContact N-OD1 3.23Å
443	L	95.1	Very high	92	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.016	13%	0.127	C	C	.	.	H	α-helix	trans	-60.1	-45.8	-179.4	-179.7	69.6	0	0	0	111.7	L172 L175 Q441 N447 H448 L449 L500 N502	L172-L443 HydrophobicContact CD1-CD1 3.43Å; L172-L443 VanDerWaalsContact CD1-CD1 3.43Å; L172-L443 HydrophobicContact CD1-CD2 3.73Å; L172-L443 HydrophobicContact CD1-CG 4.2Å; L172-L443 HydrophobicContact CD2-CD2 4.4Å; L175-L443 HydrophobicContact CD1-CD1 4.07Å; Q441-L443 VanDerWaalsContact C-N 3.31Å; Q441-L443 PolarHBondContact O-N 3.31Å; L443-N447 PolarHBondContact O-N 3.29Å; L443-H448 HydrophobicContact CD1-CB 3.94Å; L443-H448 PolarHBondContact O-N 2.9Å; L443-L449 HydrophobicContact CD1-CD1 4.47Å; L443-L449 HydrophobicContact CD1-CD2 4.33Å; L443-L449 HydrophobicContact CD1-CG 4.03Å; L443-L449 HydrophobicContact CD2-CD1 4.06Å; L443-L449 HydrophobicContact CD2-CG 4.49Å; L443-L449 HydrophobicContact CG-CD1 4.42Å; L443-L449 HydrophobicContact CG-CG 4.34Å; L443-L500 WeakPolarHBondContact CD1-O 3.28Å; L443-N502 VanDerWaalsContact CB-OD1 3.28Å; L443-N502 WeakPolarHBondContact CB-OD1 3.36Å; L443-N502 PolarHBondContact N-OD1 3.1Å; L443-N502 VanDerWaalsContact N-OD1 3.09Å
444	D	94.9	Very high	91.4	Very high	41 Å²	41	31.4 Å²	31.4	22%	0.219	15%	0.146	C	C	.	.	H	α-helix	trans	-77.3	-41.5	-177.1	-66.5	-3.3	0	0	0	111.3	Q441 F442 N447 S452 N502	Q441-D444 HydrophobicContact CB-CB 4.3Å; Q441-D444 PolarHBondContact O-N 3.26Å; Q441-D444 VanDerWaalsContact O-N 3.16Å; F442-D444 VanDerWaalsContact C-N 3.35Å; F442-D444 PolarHBondContact O-N 3.44Å; D444-N447 PolarHBondContact O-N 2.89Å; D444-S452 WeakPolarHBondContact O-CB 3.26Å; D444-S452 PolarHBondContact O-OG 3.46Å; D444-N502 PolarHBondContact N-OD1 3.04Å; D444-N502 VanDerWaalsContact N-OD1 3.14Å; D444-N502 PolarHBondContact OD1-ND2 3.09Å; D444-N502 PolarHBondContact OD2-ND2 3.19Å; D444-N502 VanDerWaalsContact OD2-ND2 3.09Å
445	R	95.6	Very high	91.2	Very high	6 Å²	6	33.5 Å²	33.5	2%	0.023	16%	0.155	C	C	.	.	H	α-helix	trans	-71.3	-37.4	-178	-65.2	-76	172.8	-68	-8.5	112	D404 Y440 Q441 N447 K454 S456	D404-R445 VanDerWaalsContact CG-NH2 3.25Å; D404-R445 IonicContact OD1-CZ 2.61Å; D404-R445 VanDerWaalsContact OD1-CZ 3.25Å; D404-R445 IonicContact OD1-NE 2.71Å; D404-R445 PolarHBondContact OD1-NE 3.26Å; D404-R445 IonicContact OD1-NH2 3.88Å; D404-R445 PolarHBondContact OD1-NH2 3.02Å; D404-R445 IonicContact OD2-CZ 3.8Å; D404-R445 IonicContact OD2-NE 2.77Å; D404-R445 IonicContact OD2-NH2 3.26Å; D404-R445 PolarHBondContact OD2-NH2 3.01Å; Y440-R445 HydrophobicContact CE1-CB 4.03Å; Y440-R445 HydrophobicContact CE1-CG 4.08Å; Y440-R445 HydrophobicContact CE2-CG 4.04Å; Y440-R445 WeakPolarHBondContact OH-CB 3.37Å; Y440-R445 WeakPolarHBondContact OH-CG 3.45Å; Q441-R445 HydrophobicContact CB-CG 4.16Å; Q441-R445 VanDerWaalsContact NE2-NH2 3.15Å; Q441-R445 VanDerWaalsContact O-CB 3.27Å; Q441-R445 WeakPolarHBondContact O-CB 3.49Å; Q441-R445 WeakPolarHBondContact O-CG 3.22Å; Q441-R445 PolarHBondContact O-N 2.96Å; R445-N447 VanDerWaalsContact C-N 3.26Å; R445-K454 WeakPolarHBondContact CD-O 3.18Å; R445-K454 PolarHBondContact NH1-O 3.44Å; R445-S456 PolarHBondContact O-N 3.47Å; R445-S456 VanDerWaalsContact O-N 3.13Å
446	C	93.9	Very high	91.1	Very high	18 Å²	18	33.7 Å²	33.7	12%	0.122	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-4.1	172.3	-58.5	0	0	0	0	112.6	K139 F442 H448	K139-C446 PolarHBondContact NZ-O 3.49Å; F442-C446 WeakPolarHBondContact O-CB 3.31Å; F442-C446 PolarHBondContact O-N 3.32Å; F442-C446 PolarHBondContact O-SG 3.37Å; C446-H448 VanDerWaalsContact C-N 3.33Å; C446-H448 VanDerWaalsContact CB-CE1 3.42Å; C446-H448 WeakPolarHBondContact CB-CE1 3.26Å; C446-H448 PolarHBondContact O-N 3.24Å
447	N	93.6	Very high	91.1	Very high	16 Å²	16	33.8 Å²	33.8	9%	0.086	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	50.9	178.2	-164.4	18.4	0	0	0	113.1	K139 L443 D444 R445 L449 K450 R451 S452 E455	K139-N447 PolarHBondContact NZ-O 3.28Å; L443-N447 PolarHBondContact O-N 3.29Å; D444-N447 PolarHBondContact O-N 2.89Å; R445-N447 VanDerWaalsContact C-N 3.26Å; N447-L449 VanDerWaalsContact C-N 3.3Å; N447-K450 PolarHBondContact O-N 2.89Å; N447-K450 WeakPolarHBondContact OD1-CA 3.49Å; N447-K450 PolarHBondContact OD1-N 2.89Å; N447-R451 PolarHBondContact OD1-N 3.36Å; N447-R451 VanDerWaalsContact OD1-N 3.1Å; N447-S452 PolarHBondContact OD1-N 3.25Å; N447-S452 VanDerWaalsContact OD1-N 3.13Å; N447-E455 HydrophobicContact CB-CB 3.97Å; N447-E455 VanDerWaalsContact CB-CD 3.49Å; N447-E455 HydrophobicContact CB-CG 3.85Å; N447-E455 WeakPolarHBondContact CB-OE2 3.31Å; N447-E455 PolarHBondContact ND2-OE2 3.19Å
448	H	91.5	Very high	91.2	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.014	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-26.7	-179.8	-66.5	-33.6	0	0	0	112.9	T103 L175 L443 C446 T491	T103-H448 HydrophobicContact CG2-CB 4.09Å; L175-H448 HydrophobicContact CD1-CB 4.25Å; L175-H448 HydrophobicContact CD2-CB 4.49Å; L443-H448 HydrophobicContact CD1-CB 3.94Å; L443-H448 PolarHBondContact O-N 2.9Å; C446-H448 VanDerWaalsContact C-N 3.33Å; C446-H448 VanDerWaalsContact CB-CE1 3.42Å; C446-H448 WeakPolarHBondContact CB-CE1 3.26Å; C446-H448 PolarHBondContact O-N 3.24Å; H448-T491 PolarHBondContact CE1-O 3.49Å; H448-T491 PolarHBondContact NE2-O 3.16Å
449	L	90.2	Very high	91.5	Very high	31 Å²	31	33.9 Å²	33.9	16%	0.162	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-0.2	177.5	-53.9	-173.2	0	0	0	113.6	P169 L175 L443 N447 R451	P169-L449 HydrophobicContact CG-CD2 4.06Å; L175-L449 HydrophobicContact CD1-CD2 4.36Å; L175-L449 HydrophobicContact CG-CD2 4.4Å; L443-L449 HydrophobicContact CD1-CD1 4.47Å; L443-L449 HydrophobicContact CD1-CD2 4.33Å; L443-L449 HydrophobicContact CD1-CG 4.03Å; L443-L449 HydrophobicContact CD2-CD1 4.06Å; L443-L449 HydrophobicContact CD2-CG 4.49Å; L443-L449 HydrophobicContact CG-CD1 4.42Å; L443-L449 HydrophobicContact CG-CG 4.34Å; N447-L449 VanDerWaalsContact C-N 3.3Å; L449-R451 WeakPolarHBondContact O-CG 3.42Å; L449-R451 PolarHBondContact O-N 3.17Å
450	K	84.8	Confident	91.7	Very high	41 Å²	41	34.2 Å²	34.2	18%	0.178	16%	0.16	C	C	.	.	S	Bend	trans	56.4	33.3	177.4	-58.1	-65.2	-172.2	163.5	0	114.6	I105 E106 Q168 N447	I105-K450 WeakPolarHBondContact O-CE 3.47Å; I105-K450 PolarHBondContact O-NZ 3.38Å; E106-K450 PolarHBondContact O-NZ 2.94Å; Q168-K450 HydrophobicContact CB-CB 4.27Å; Q168-K450 HydrophobicContact CB-CG 4.2Å; Q168-K450 HydrophobicContact CG-CB 4.3Å; Q168-K450 HydrophobicContact CG-CG 3.98Å; N447-K450 PolarHBondContact O-N 2.89Å; N447-K450 WeakPolarHBondContact OD1-CA 3.49Å; N447-K450 PolarHBondContact OD1-N 2.89Å
451	R	78.3	Confident	91.9	Very high	161 Å²	161	34 Å²	34	61%	0.608	16%	0.159	S	C	*	.			trans	-131.2	-7.7	-175.6	-72.9	168.3	178.8	-175	-0.4	113.5	T170 N447 L449	T170-R451 VanDerWaalsContact CB-NH2 3.29Å; T170-R451 PolarHBondContact O-NH1 2.88Å; T170-R451 PolarHBondContact O-NH2 3.37Å; N447-R451 PolarHBondContact OD1-N 3.36Å; N447-R451 VanDerWaalsContact OD1-N 3.1Å; L449-R451 WeakPolarHBondContact O-CG 3.42Å; L449-R451 PolarHBondContact O-N 3.17Å
452	S	74.9	Confident	92	Very high	24 Å²	24	33.6 Å²	33.6	17%	0.168	16%	0.157	C	C	.	.			trans	-88.3	117	-171.8	-178.7	0	0	0	0	110.3	D444 N447 K454	D444-S452 WeakPolarHBondContact O-CB 3.26Å; D444-S452 PolarHBondContact O-OG 3.46Å; N447-S452 PolarHBondContact OD1-N 3.25Å; N447-S452 VanDerWaalsContact OD1-N 3.13Å; S452-K454 PolarHBondContact O-N 2.69Å; S452-K454 WeakPolarHBondContact OG-CA 3.47Å; S452-K454 PolarHBondContact OG-N 3.29Å
453	E	81.1	Confident	92.1	Very high	192 Å²	192	33.6 Å²	33.6	90%	0.897	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-6.7	163.5	-63.3	-180	174.7	0	0	111.9
454	K	85.5	Confident	92.3	Very high	90 Å²	90	33.4 Å²	33.4	39%	0.391	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	25.3	-179.2	-47.5	-176.5	176.8	-173.2	0	112.4	R445 S452 S456	R445-K454 WeakPolarHBondContact CD-O 3.18Å; R445-K454 PolarHBondContact NH1-O 3.44Å; S452-K454 PolarHBondContact O-N 2.69Å; S452-K454 WeakPolarHBondContact OG-CA 3.47Å; S452-K454 PolarHBondContact OG-N 3.29Å; K454-S456 PolarHBondContact O-N 3.31Å
455	E	93.7	Very high	92.5	Very high	44 Å²	44	31.5 Å²	31.5	21%	0.206	15%	0.146	C	C	.	.			trans	-60.2	132.2	170.7	-174.9	163.9	-164.6	0	0	109.2	Q339 N447	Q339-E455 WeakPolarHBondContact CB-O 3.49Å; Q339-E455 WeakPolarHBondContact CG-O 3.45Å; Q339-E455 PolarHBondContact OE1-O 3.34Å; N447-E455 HydrophobicContact CB-CB 3.97Å; N447-E455 VanDerWaalsContact CB-CD 3.49Å; N447-E455 HydrophobicContact CB-CG 3.85Å; N447-E455 WeakPolarHBondContact CB-OE2 3.31Å; N447-E455 PolarHBondContact ND2-OE2 3.19Å
456	S	95.1	Very high	92.7	Very high	5 Å²	5	31.2 Å²	31.2	4%	0.035	15%	0.145	C	C	.	.			trans	-160	136.1	178.3	-173.6	0	0	0	0	110.5	I335 R445 K454 L458	I335-S456 PolarHBondContact O-OG 3.18Å; I335-S456 VanDerWaalsContact O-OG 3.1Å; R445-S456 PolarHBondContact O-N 3.47Å; R445-S456 VanDerWaalsContact O-N 3.13Å; K454-S456 PolarHBondContact O-N 3.31Å; S456-L458 PolarHBondContact O-N 3.5Å; S456-L458 VanDerWaalsContact O-N 3.07Å
457	P	96.6	Very high	92.9	Very high	15 Å²	15	30.9 Å²	30.9	10%	0.097	14%	0.141	C	C	.	.			trans	-84.8	31.6	-177.4	41.4	-42.4	0	0	0	111.3	I338 Q339 F342 W370 F459 L460 L461	I338-P457 HydrophobicContact CG2-CG 3.88Å; Q339-P457 VanDerWaalsContact OE1-CD 3.26Å; F342-P457 HydrophobicContact CB-CB 4.3Å; F342-P457 HydrophobicContact CB-CG 3.54Å; F342-P457 HydrophobicContact CD1-CB 3.96Å; F342-P457 HydrophobicContact CD1-CG 4.02Å; F342-P457 HydrophobicContact CD2-CB 4.13Å; F342-P457 HydrophobicContact CD2-CG 4.21Å; F342-P457 HydrophobicContact CE1-CB 4.33Å; F342-P457 HydrophobicContact CE2-CB 4.49Å; F342-P457 HydrophobicContact CG-CB 3.86Å; F342-P457 HydrophobicContact CG-CG 3.66Å; W370-P457 HydrophobicContact CH2-CB 4.3Å; W370-P457 HydrophobicContact CH2-CG 3.9Å; W370-P457 HydrophobicContact CZ3-CG 3.78Å; P457-F459 VanDerWaalsContact C-N 3.29Å; P457-F459 PolarHBondContact O-N 3.45Å; P457-L460 HydrophobicContact CB-CB 4.22Å; P457-L460 HydrophobicContact CB-CD2 4.36Å; P457-L460 CarbonylContact O-C 3.34Å; P457-L460 WeakPolarHBondContact O-CA 3.29Å; P457-L460 WeakPolarHBondContact O-CB 3.31Å; P457-L460 PolarHBondContact O-N 2.74Å; P457-L461 PolarHBondContact O-N 3.14Å
458	L	97.5	Very high	93.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.8	-36.8	-171.1	-169.5	71.4	0	0	0	112.6	I338 F377 D404 L405 L408 W435 Y440 S456 L460 L461 F462	I338-L458 HydrophobicContact CD1-CD1 3.57Å; F377-L458 HydrophobicContact CZ-CD1 4.33Å; D404-L458 HydrophobicContact CB-CD2 3.74Å; D404-L458 VanDerWaalsContact O-CD2 3.32Å; D404-L458 WeakPolarHBondContact O-CD2 3.48Å; L405-L458 HydrophobicContact CD2-CD1 3.92Å; L405-L458 HydrophobicContact CD2-CD2 4.15Å; L408-L458 HydrophobicContact CD1-CD1 3.68Å; L408-L458 HydrophobicContact CD1-CG 4.14Å; W435-L458 HydrophobicContact CH2-CG 4.44Å; Y440-L458 HydrophobicContact CE2-CB 4.37Å; Y440-L458 HydrophobicContact CE2-CD2 4.05Å; S456-L458 PolarHBondContact O-N 3.5Å; S456-L458 VanDerWaalsContact O-N 3.07Å; L458-L460 VanDerWaalsContact C-N 3.33Å; L458-L461 HydrophobicContact CD1-CD2 4.2Å; L458-L461 WeakPolarHBondContact O-CB 3.38Å; L458-L461 PolarHBondContact O-N 2.76Å; L458-F462 PolarHBondContact O-N 3.43Å
459	F	98.4	Very high	93.4	Very high	8 Å²	8	30 Å²	30	4%	0.035	14%	0.136	C	C	.	.	H	α-helix	trans	-65.4	-36.3	172.5	-173.6	-109.4	0	0	0	112.3	I431 W435 Y440 F442 P457 F462 L463 L487 T491 F499	I431-F459 HydrophobicContact CD1-CE2 4.21Å; I431-F459 HydrophobicContact CD1-CZ 4.03Å; I431-F459 HydrophobicContact CG1-CE2 4.28Å; I431-F459 HydrophobicContact CG2-CE2 3.94Å; I431-F459 HydrophobicContact CG2-CZ 4.1Å; W435-F459 AromaticContact CD2-CD2 3.69Å; W435-F459 HydrophobicContact CD2-CD2 3.69Å; W435-F459 HydrophobicContact CD2-CE2 4.1Å; W435-F459 HydrophobicContact CE3-CB 4.32Å; W435-F459 AromaticContact CE3-CD2 3.55Å; W435-F459 HydrophobicContact CE3-CD2 3.55Å; W435-F459 HydrophobicContact CE3-CE2 4.38Å; W435-F459 HydrophobicContact CE3-CG 4.39Å; W435-F459 HydrophobicContact CG-CD2 4.35Å; W435-F459 HydrophobicContact CG-CE2 4.33Å; W435-F459 HydrophobicContact CH2-CB 4.4Å; W435-F459 HydrophobicContact CH2-CD2 4.09Å; W435-F459 HydrophobicContact CZ2-CD2 4.22Å; W435-F459 HydrophobicContact CZ3-CB 3.89Å; W435-F459 AromaticContact CZ3-CD2 3.77Å; W435-F459 HydrophobicContact CZ3-CD2 3.77Å; W435-F459 HydrophobicContact CZ3-CG 4.34Å; Y440-F459 HydrophobicContact CE1-CB 4.27Å; F442-F459 HydrophobicContact CE1-CB 4.27Å; F442-F459 HydrophobicContact CE1-CD1 4.16Å; F442-F459 HydrophobicContact CE1-CD2 4.07Å; F442-F459 HydrophobicContact CE1-CE2 4.44Å; F442-F459 AromaticContact CE1-CG 3.9Å; F442-F459 HydrophobicContact CE1-CG 3.9Å; F442-F459 HydrophobicContact CZ-CD2 4.12Å; F442-F459 HydrophobicContact CZ-CE2 4.25Å; F442-F459 HydrophobicContact CZ-CG 4.42Å; P457-F459 VanDerWaalsContact C-N 3.29Å; P457-F459 PolarHBondContact O-N 3.45Å; F459-F462 HydrophobicContact CD2-CD1 4.18Å; F459-F462 HydrophobicContact CE2-CD1 4.07Å; F459-F462 HydrophobicContact CE2-CE1 4.48Å; F459-F462 WeakPolarHBondContact O-CB 3.44Å; F459-F462 PolarHBondContact O-N 3.07Å; F459-L463 HydrophobicContact CD1-CD1 4.15Å; F459-L463 HydrophobicContact CE1-CD1 3.82Å; F459-L463 HydrophobicContact CE1-CG 4.29Å; F459-L463 HydrophobicContact CZ-CD1 4.43Å; F459-L463 HydrophobicContact CZ-CD2 4.36Å; F459-L463 WeakPolarHBondContact O-CG 3.24Å; F459-L463 PolarHBondContact O-N 3.13Å; F459-L487 HydrophobicContact CZ-CG 4.48Å; F459-T491 HydrophobicContact CD1-CG2 3.65Å; F459-T491 HydrophobicContact CE1-CG2 3.62Å; F459-F499 HydrophobicContact CE1-CZ 4.34Å; F459-F499 HydrophobicContact CZ-CE1 4.2Å; F459-F499 HydrophobicContact CZ-CZ 4.05Å
460	L	98.2	Very high	93.8	Very high	7 Å²	7	29 Å²	29	4%	0.037	13%	0.131	C	C	.	.	H	α-helix	trans	-67.2	-38.2	172.3	169.6	61.5	0	0	0	111.4	F342 P457 L458 F462 L463 D464 W653 Y657	F342-L460 HydrophobicContact CD2-CD2 4.16Å; F342-L460 HydrophobicContact CE2-CD2 3.42Å; F342-L460 VanDerWaalsContact CE2-CD2 3.42Å; F342-L460 HydrophobicContact CZ-CD2 3.9Å; P457-L460 HydrophobicContact CB-CB 4.22Å; P457-L460 HydrophobicContact CB-CD2 4.36Å; P457-L460 CarbonylContact O-C 3.34Å; P457-L460 WeakPolarHBondContact O-CA 3.29Å; P457-L460 WeakPolarHBondContact O-CB 3.31Å; P457-L460 PolarHBondContact O-N 2.74Å; L458-L460 VanDerWaalsContact C-N 3.33Å; L460-F462 VanDerWaalsContact C-N 3.29Å; L460-F462 PolarHBondContact O-N 2.94Å; L460-L463 PolarHBondContact O-N 3.25Å; L460-L463 VanDerWaalsContact O-N 3.14Å; L460-D464 PolarHBondContact O-N 3.45Å; L460-W653 HydrophobicContact CD1-CZ3 4.16Å; L460-Y657 HydrophobicContact CD2-CE1 4.19Å
461	L	98.6	Very high	94.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.1	-38.2	173.9	-174.5	61.9	0	0	0	111.7	I338 W370 V374 F377 L408 P457 L458 D464 T465	I338-L461 HydrophobicContact CD1-CD2 4.14Å; I338-L461 HydrophobicContact CG1-CD2 4.44Å; I338-L461 HydrophobicContact CG2-CD2 4.03Å; W370-L461 HydrophobicContact CH2-CB 3.8Å; W370-L461 HydrophobicContact CH2-CD1 3.82Å; W370-L461 HydrophobicContact CH2-CG 4.34Å; W370-L461 HydrophobicContact CZ2-CB 4.2Å; W370-L461 HydrophobicContact CZ2-CD1 3.71Å; W370-L461 HydrophobicContact CZ3-CD1 4.28Å; V374-L461 HydrophobicContact CB-CD1 4.38Å; V374-L461 HydrophobicContact CG2-CD1 3.5Å; F377-L461 HydrophobicContact CD2-CD2 3.59Å; F377-L461 HydrophobicContact CD2-CG 4.44Å; F377-L461 HydrophobicContact CE2-CD2 3.48Å; F377-L461 VanDerWaalsContact CE2-CD2 3.48Å; F377-L461 HydrophobicContact CG-CD2 4.48Å; F377-L461 HydrophobicContact CZ-CD2 4.27Å; L408-L461 HydrophobicContact CD1-CB 4.09Å; L408-L461 HydrophobicContact CD1-CD2 3.94Å; L408-L461 HydrophobicContact CD1-CG 3.9Å; P457-L461 PolarHBondContact O-N 3.14Å; L458-L461 HydrophobicContact CD1-CD2 4.2Å; L458-L461 WeakPolarHBondContact O-CB 3.38Å; L458-L461 PolarHBondContact O-N 2.76Å; L461-D464 PolarHBondContact O-N 3Å; L461-T465 WeakPolarHBondContact O-CB 3.46Å; L461-T465 WeakPolarHBondContact O-CG2 3.25Å; L461-T465 PolarHBondContact O-N 3.33Å; L461-T465 PolarHBondContact O-OG1 3.01Å
462	F	98.8	Very high	95.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.5	-43.6	171.2	168.3	-115.7	0	0	0	112.4	L408 L412 F427 L430 I431 W435 L458 F459 L460 T465 T466	L408-F462 HydrophobicContact CD1-CB 4.28Å; L408-F462 HydrophobicContact CG-CB 3.95Å; L408-F462 HydrophobicContact CG-CD2 4.47Å; L412-F462 HydrophobicContact CD2-CD2 4.29Å; L412-F462 HydrophobicContact CD2-CE2 4.29Å; L412-F462 HydrophobicContact CG-CD2 4.34Å; F427-F462 HydrophobicContact CE2-CE1 4.02Å; F427-F462 AromaticContact CE2-CZ 3.6Å; F427-F462 HydrophobicContact CE2-CZ 3.6Å; F427-F462 AromaticContact CZ-CE1 3.65Å; F427-F462 HydrophobicContact CZ-CE1 3.65Å; F427-F462 AromaticContact CZ-CZ 3.73Å; F427-F462 HydrophobicContact CZ-CZ 3.73Å; L430-F462 HydrophobicContact CD2-CZ 4.4Å; I431-F462 HydrophobicContact CD1-CE1 4.19Å; I431-F462 HydrophobicContact CG1-CE1 3.98Å; W435-F462 AromaticContact CE2-CD1 3.94Å; W435-F462 HydrophobicContact CH2-CB 3.69Å; W435-F462 HydrophobicContact CH2-CG 4.2Å; W435-F462 HydrophobicContact CZ2-CB 3.43Å; W435-F462 VanDerWaalsContact CZ2-CB 3.43Å; W435-F462 AromaticContact CZ2-CD1 3.69Å; W435-F462 HydrophobicContact CZ2-CD1 3.69Å; W435-F462 HydrophobicContact CZ2-CD2 4.06Å; W435-F462 HydrophobicContact CZ2-CE1 4.49Å; W435-F462 AromaticContact CZ2-CG 3.43Å; W435-F462 HydrophobicContact CZ2-CG 3.43Å; W435-F462 VanDerWaalsContact CZ2-CG 3.43Å; L458-F462 PolarHBondContact O-N 3.43Å; F459-F462 HydrophobicContact CD2-CD1 4.18Å; F459-F462 HydrophobicContact CE2-CD1 4.07Å; F459-F462 HydrophobicContact CE2-CE1 4.48Å; F459-F462 WeakPolarHBondContact O-CB 3.44Å; F459-F462 PolarHBondContact O-N 3.07Å; L460-F462 VanDerWaalsContact C-N 3.29Å; L460-F462 PolarHBondContact O-N 2.94Å; F462-T465 WeakPolarHBondContact CA-OG1 3.07Å; F462-T465 PolarHBondContact O-OG1 3.44Å; F462-T466 WeakPolarHBondContact CE2-OG1 3.27Å; F462-T466 WeakPolarHBondContact O-CB 3.14Å; F462-T466 PolarHBondContact O-N 3.15Å; F462-T466 PolarHBondContact O-OG1 2.81Å
463	L	98.8	Very high	96.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67.5	-38.6	177	-62.7	179.3	0	0	0	111.9	F427 F459 L460 T466 W467 L484 L487 C488 W653	F427-L463 HydrophobicContact CE1-CD2 4.14Å; F427-L463 HydrophobicContact CZ-CD2 4.04Å; F459-L463 HydrophobicContact CD1-CD1 4.15Å; F459-L463 HydrophobicContact CE1-CD1 3.82Å; F459-L463 HydrophobicContact CE1-CG 4.29Å; F459-L463 HydrophobicContact CZ-CD1 4.43Å; F459-L463 HydrophobicContact CZ-CD2 4.36Å; F459-L463 WeakPolarHBondContact O-CG 3.24Å; F459-L463 PolarHBondContact O-N 3.13Å; L460-L463 PolarHBondContact O-N 3.25Å; L460-L463 VanDerWaalsContact O-N 3.14Å; L463-T466 PolarHBondContact O-N 3.19Å; L463-W467 WeakPolarHBondContact O-CB 3.34Å; L463-W467 PolarHBondContact O-N 3.47Å; L463-L484 HydrophobicContact CD2-CD2 4.1Å; L463-L487 HydrophobicContact CD2-CD2 4.1Å; L463-C488 HydrophobicContact CD1-CB 3.73Å; L463-W653 HydrophobicContact CB-CH2 4.04Å; L463-W653 HydrophobicContact CB-CZ3 3.8Å
464	D	98.8	Very high	96.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.3	-51.4	175	-171.4	-21.7	0	0	0	110.5	W370 V374 L460 L461 T466 W467 Q468 W653 Y657	W370-D464 PolarHBondContact NE1-OD2 3.34Å; V374-D464 HydrophobicContact CG2-CB 4.42Å; L460-D464 PolarHBondContact O-N 3.45Å; L461-D464 PolarHBondContact O-N 3Å; D464-T466 VanDerWaalsContact C-N 3.27Å; D464-T466 PolarHBondContact O-N 3.43Å; D464-W467 CarbonylContact O-C 3.58Å; D464-W467 WeakPolarHBondContact O-CA 3.28Å; D464-W467 VanDerWaalsContact O-CB 3.3Å; D464-W467 WeakPolarHBondContact O-CB 3.41Å; D464-W467 PolarHBondContact O-N 3.41Å; D464-Q468 WeakPolarHBondContact O-CG 3.32Å; D464-Q468 PolarHBondContact O-N 2.74Å; D464-Q468 PolarHBondContact OD1-NE2 3.49Å; D464-W653 HydrophobicContact CB-CE3 4.01Å; D464-W653 HydrophobicContact CB-CZ3 4.47Å; D464-Y657 PolarHBondContact OD2-OH 3.14Å
465	T	98.8	Very high	97.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.6	-36.3	176.4	49.5	0	0	0	0	112.7	V374 F377 L378 L412 L461 F462 Q468 L469	V374-T465 HydrophobicContact CB-CG2 4.35Å; V374-T465 HydrophobicContact CG1-CG2 3.91Å; F377-T465 HydrophobicContact CB-CG2 4.29Å; L378-T465 HydrophobicContact CG-CG2 4.01Å; L412-T465 HydrophobicContact CD1-CG2 4.24Å; L461-T465 WeakPolarHBondContact O-CB 3.46Å; L461-T465 WeakPolarHBondContact O-CG2 3.25Å; L461-T465 PolarHBondContact O-N 3.33Å; L461-T465 PolarHBondContact O-OG1 3.01Å; F462-T465 WeakPolarHBondContact CA-OG1 3.07Å; F462-T465 PolarHBondContact O-OG1 3.44Å; T465-Q468 PolarHBondContact O-N 3.37Å; T465-L469 PolarHBondContact O-N 3.35Å
466	T	98.8	Very high	97.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-66.5	-40.6	171	-58.1	0	0	0	0	111.7	F427 F462 L463 D464 Q468 L469 L470 F477 F479 L484	F427-T466 HydrophobicContact CE2-CG2 3.76Å; F427-T466 HydrophobicContact CZ-CG2 3.97Å; F462-T466 WeakPolarHBondContact CE2-OG1 3.27Å; F462-T466 WeakPolarHBondContact O-CB 3.14Å; F462-T466 PolarHBondContact O-N 3.15Å; F462-T466 PolarHBondContact O-OG1 2.81Å; L463-T466 PolarHBondContact O-N 3.19Å; D464-T466 VanDerWaalsContact C-N 3.27Å; D464-T466 PolarHBondContact O-N 3.43Å; T466-Q468 VanDerWaalsContact C-N 3.33Å; T466-Q468 PolarHBondContact O-N 2.86Å; T466-L469 WeakPolarHBondContact O-CB 3.21Å; T466-L469 PolarHBondContact O-N 3.01Å; T466-L469 VanDerWaalsContact O-N 3.15Å; T466-L470 PolarHBondContact O-N 3.49Å; T466-F477 HydrophobicContact CG2-CE1 4.35Å; T466-F479 HydrophobicContact CG2-CE2 4.13Å; T466-F479 HydrophobicContact CG2-CZ 3.96Å; T466-L484 HydrophobicContact CG2-CD1 4.36Å; T466-L484 HydrophobicContact CG2-CD2 4.36Å
467	W	98.6	Very high	97.4	Very high	11 Å²	11	12.3 Å²	12.3	4%	0.042	7%	0.066	C	C	.	.	H	α-helix	trans	-62	-38.9	174.9	172.9	78.3	0	0	0	112	L463 D464 L469 L470 E471 E481 L484 K651 W653	L463-W467 WeakPolarHBondContact O-CB 3.34Å; L463-W467 PolarHBondContact O-N 3.47Å; D464-W467 CarbonylContact O-C 3.58Å; D464-W467 WeakPolarHBondContact O-CA 3.28Å; D464-W467 VanDerWaalsContact O-CB 3.3Å; D464-W467 WeakPolarHBondContact O-CB 3.41Å; D464-W467 PolarHBondContact O-N 3.41Å; W467-L469 VanDerWaalsContact C-N 3.25Å; W467-L469 PolarHBondContact O-N 3.08Å; W467-L470 WeakPolarHBondContact O-CB 3.34Å; W467-L470 PolarHBondContact O-N 3.3Å; W467-L470 VanDerWaalsContact O-N 3.15Å; W467-E471 HydrophobicContact CZ2-CB 4.45Å; W467-E471 HydrophobicContact CZ2-CG 4.41Å; W467-E471 WeakPolarHBondContact O-CB 3.35Å; W467-E471 PolarHBondContact O-N 3.46Å; W467-E481 VanDerWaalsContact NE1-CD 3.25Å; W467-E481 PolarHBondContact NE1-OE1 2.88Å; W467-E481 VanDerWaalsContact NE1-OE1 3.17Å; W467-L484 HydrophobicContact CB-CD1 3.9Å; W467-K651 HydrophobicContact CH2-CB 3.66Å; W467-K651 HydrophobicContact CZ3-CB 3.95Å; W467-K651 WeakPolarHBondContact CZ3-O 2.83Å; W467-W653 HydrophobicContact CB-CD2 4.06Å; W467-W653 HydrophobicContact CB-CE3 4.22Å; W467-W653 HydrophobicContact CB-CZ2 4.4Å; W467-W653 HydrophobicContact CB-CZ3 4.47Å; W467-W653 AromaticContact CD1-CD1 3.81Å; W467-W653 AromaticContact CD1-CE2 3.84Å; W467-W653 AromaticContact CD1-NE1 3.52Å; W467-W653 HydrophobicContact CD2-CB 3.91Å; W467-W653 AromaticContact CD2-CD1 3.59Å; W467-W653 HydrophobicContact CD2-CD2 4.06Å; W467-W653 AromaticContact CD2-CG 3.6Å; W467-W653 HydrophobicContact CD2-CG 3.6Å; W467-W653 AromaticContact CE2-CD1 3.41Å; W467-W653 VanDerWaalsContact CE2-CD1 3.41Å; W467-W653 AromaticContact CE2-CG 3.89Å; W467-W653 AromaticContact CE2-NE1 3.94Å; W467-W653 HydrophobicContact CE3-CB 3.61Å; W467-W653 HydrophobicContact CE3-CD2 4.47Å; W467-W653 AromaticContact CE3-CG 3.85Å; W467-W653 HydrophobicContact CE3-CG 3.85Å; W467-W653 AromaticContact CG-CD1 3.84Å; W467-W653 AromaticContact CG-CD2 3.85Å; W467-W653 HydrophobicContact CG-CD2 3.85Å; W467-W653 AromaticContact CG-CE2 3.82Å; W467-W653 HydrophobicContact CG-CE3 4.48Å; W467-W653 AromaticContact CG-CG 3.9Å; W467-W653 HydrophobicContact CG-CG 3.9Å; W467-W653 HydrophobicContact CG-CZ2 4.45Å; W467-W653 AromaticContact CG-NE1 3.8Å; W467-W653 HydrophobicContact CH2-CB 4.16Å; W467-W653 HydrophobicContact CZ2-CB 4.42Å; W467-W653 AromaticContact CZ2-CD1 3.89Å; W467-W653 HydrophobicContact CZ2-CG 4.38Å; W467-W653 HydrophobicContact CZ3-CB 3.75Å; W467-W653 HydrophobicContact CZ3-CG 4.33Å; W467-W653 AromaticContact NE1-CD1 3.54Å; W467-W653 AromaticContact NE1-NE1 3.57Å
468	Q	98.5	Very high	97.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-57.7	-40.1	173.3	-57.8	-63.7	-30.7	0	0	111.4	V374 L378 D464 T465 T466 Q472 K651	V374-Q468 HydrophobicContact CG1-CG 3.63Å; L378-Q468 HydrophobicContact CD1-CB 3.81Å; L378-Q468 HydrophobicContact CD1-CG 3.91Å; D464-Q468 WeakPolarHBondContact O-CG 3.32Å; D464-Q468 PolarHBondContact O-N 2.74Å; D464-Q468 PolarHBondContact OD1-NE2 3.49Å; T465-Q468 PolarHBondContact O-N 3.37Å; T466-Q468 VanDerWaalsContact C-N 3.33Å; T466-Q468 PolarHBondContact O-N 2.86Å; Q468-Q472 WeakPolarHBondContact O-CB 3.44Å; Q468-Q472 VanDerWaalsContact O-CG 3.26Å; Q468-Q472 WeakPolarHBondContact O-CG 3.37Å; Q468-Q472 PolarHBondContact O-N 3.49Å; Q468-Q472 VanDerWaalsContact O-N 3.11Å; Q468-K651 PolarHBondContact NE2-O 3.29Å
469	L	98.5	Very high	97.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-68.9	-42	175.9	-64.5	174.4	0	0	0	111.9	L378 L412 V415 M416 T465 T466 W467 Q472 Y473 F477 I641 P643	L378-L469 HydrophobicContact CD2-CD1 4.49Å; L378-L469 HydrophobicContact CD2-CD2 4.25Å; L378-L469 HydrophobicContact CD2-CG 4.14Å; L412-L469 HydrophobicContact CD2-CD1 4.39Å; V415-L469 HydrophobicContact CG1-CD1 3.88Å; M416-L469 HydrophobicContact CE-CD1 4.13Å; M416-L469 HydrophobicContact CE-CD2 4.32Å; M416-L469 HydrophobicContact CG-CD1 3.94Å; T465-L469 PolarHBondContact O-N 3.35Å; T466-L469 WeakPolarHBondContact O-CB 3.21Å; T466-L469 PolarHBondContact O-N 3.01Å; T466-L469 VanDerWaalsContact O-N 3.15Å; W467-L469 VanDerWaalsContact C-N 3.25Å; W467-L469 PolarHBondContact O-N 3.08Å; L469-Q472 PolarHBondContact O-N 3.49Å; L469-Y473 WeakPolarHBondContact O-CB 3.18Å; L469-Y473 WeakPolarHBondContact O-CD2 3.5Å; L469-Y473 PolarHBondContact O-N 2.87Å; L469-F477 HydrophobicContact CB-CE2 4Å; L469-F477 HydrophobicContact CB-CZ 3.66Å; L469-I641 HydrophobicContact CB-CD1 4.49Å; L469-P643 HydrophobicContact CD2-CB 3.83Å; L469-P643 HydrophobicContact CD2-CG 4.36Å
470	L	97.6	Very high	97.1	Very high	11 Å²	11	13.4 Å²	13.4	6%	0.058	7%	0.071	C	C	.	.	H	α-helix	trans	-59.5	-46.1	175.1	171.6	65.6	0	0	0	111.5	T466 W467 Q472 Y473 P474 F477 E481 L484	T466-L470 PolarHBondContact O-N 3.49Å; W467-L470 WeakPolarHBondContact O-CB 3.34Å; W467-L470 PolarHBondContact O-N 3.3Å; W467-L470 VanDerWaalsContact O-N 3.15Å; L470-Q472 VanDerWaalsContact C-N 3.35Å; L470-Q472 PolarHBondContact O-N 2.82Å; L470-Y473 CarbonylContact O-C 3.53Å; L470-Y473 VanDerWaalsContact O-C 3.24Å; L470-Y473 PolarHBondContact O-N 3.39Å; L470-P474 WeakPolarHBondContact O-CA 3.47Å; L470-P474 WeakPolarHBondContact O-CD 2.84Å; L470-F477 HydrophobicContact CB-CD2 4.25Å; L470-F477 HydrophobicContact CB-CE2 4.5Å; L470-F477 HydrophobicContact CB-CG 4.41Å; L470-F477 HydrophobicContact CD1-CB 3.46Å; L470-F477 VanDerWaalsContact CD1-CB 3.46Å; L470-F477 HydrophobicContact CD1-CD2 4.05Å; L470-F477 HydrophobicContact CD1-CG 3.88Å; L470-E481 HydrophobicContact CD2-CB 4.3Å; L470-L484 HydrophobicContact CD2-CD1 4.1Å
471	E	95.3	Very high	96.9	Very high	75 Å²	75	15.8 Å²	15.8	35%	0.35	8%	0.082	S	C	.	.	H	α-helix	trans	-64.6	-37.7	179.8	176.6	63.3	-171.6	0	0	112	W467 K651	W467-E471 HydrophobicContact CZ2-CB 4.45Å; W467-E471 HydrophobicContact CZ2-CG 4.41Å; W467-E471 WeakPolarHBondContact O-CB 3.35Å; W467-E471 PolarHBondContact O-N 3.46Å; E471-K651 HydrophobicContact CG-CD 4.05Å; E471-K651 IonicContact OE1-NZ 3.73Å; E471-K651 PolarHBondContact OE1-NZ 3.11Å
472	Q	95.6	Very high	96.6	Very high	39 Å²	39	16.3 Å²	16.3	18%	0.182	9%	0.085	C	C	.	.	H	α-helix	trans	-78.6	-27.9	177.2	-67.9	-178.1	27.9	0	0	113	Q468 L469 L470 R644 H649	Q468-Q472 WeakPolarHBondContact O-CB 3.44Å; Q468-Q472 VanDerWaalsContact O-CG 3.26Å; Q468-Q472 WeakPolarHBondContact O-CG 3.37Å; Q468-Q472 PolarHBondContact O-N 3.49Å; Q468-Q472 VanDerWaalsContact O-N 3.11Å; L469-Q472 PolarHBondContact O-N 3.49Å; L470-Q472 VanDerWaalsContact C-N 3.35Å; L470-Q472 PolarHBondContact O-N 2.82Å; Q472-R644 PolarHBondContact NE2-O 3.26Å; Q472-R644 VanDerWaalsContact NE2-O 3.12Å; Q472-H649 PolarHBondContact NE2-O 2.71Å
473	Y	96.2	Very high	96.4	Very high	18 Å²	18	16.3 Å²	16.3	7%	0.071	9%	0.085	C	C	.	.			trans	-133.3	60	-175.8	-57.2	-75.3	0	0	0	112.6	L469 L470 A475 A476 F477 V635 I641 L642	L469-Y473 WeakPolarHBondContact O-CB 3.18Å; L469-Y473 WeakPolarHBondContact O-CD2 3.5Å; L469-Y473 PolarHBondContact O-N 2.87Å; L470-Y473 CarbonylContact O-C 3.53Å; L470-Y473 VanDerWaalsContact O-C 3.24Å; L470-Y473 PolarHBondContact O-N 3.39Å; Y473-A475 PolarHBondContact O-N 2.91Å; Y473-A475 VanDerWaalsContact O-N 3.1Å; Y473-A476 WeakPolarHBondContact O-CB 3.16Å; Y473-A476 PolarHBondContact O-N 3.45Å; Y473-F477 WeakPolarHBondContact O-CD2 3.47Å; Y473-V635 HydrophobicContact CD1-CG1 3.86Å; Y473-V635 HydrophobicContact CE1-CG1 3.79Å; Y473-V635 HydrophobicContact CE1-CG2 3.94Å; Y473-I641 HydrophobicContact CD2-CB 4.21Å; Y473-I641 HydrophobicContact CD2-CD1 4.22Å; Y473-I641 HydrophobicContact CE2-CB 4.24Å; Y473-I641 HydrophobicContact CG-CG2 4.45Å; Y473-L642 VanDerWaalsContact CE2-O 3.31Å; Y473-L642 WeakPolarHBondContact CE2-O 3.5Å; Y473-L642 PolarHBondContact OH-O 3.29Å
474	P	94.1	Very high	96.4	Very high	51 Å²	51	16.3 Å²	16.3	33%	0.331	9%	0.085	S	C	.	.	G	3₁₀ helix	trans	-58.9	-34.1	-171.6	21.5	-33.7	0	0	0	112.9	L470 A476 N550 F552	L470-P474 WeakPolarHBondContact O-CA 3.47Å; L470-P474 WeakPolarHBondContact O-CD 2.84Å; P474-A476 PolarHBondContact O-N 3.49Å; P474-N550 PolarHBondContact O-ND2 2.84Å; P474-F552 HydrophobicContact CB-CB 4.22Å; P474-F552 HydrophobicContact CB-CG 4.34Å
475	A	94.1	Very high	96.1	Very high	20 Å²	20	16.3 Å²	16.3	17%	0.165	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-73.4	-9.8	-179.9	0	0	0	0	0	114.9	Y473 F552 I554 L637	Y473-A475 PolarHBondContact O-N 2.91Å; Y473-A475 VanDerWaalsContact O-N 3.1Å; A475-F552 VanDerWaalsContact CA-O 3.25Å; A475-F552 WeakPolarHBondContact CA-O 3.3Å; A475-F552 WeakPolarHBondContact CB-O 3.45Å; A475-I554 HydrophobicContact CB-CD1 4.03Å; A475-I554 HydrophobicContact CB-CG1 4.13Å; A475-I554 PolarHBondContact O-N 3.17Å; A475-L637 HydrophobicContact CB-CD1 3.65Å; A475-L637 HydrophobicContact CB-CD2 4.24Å
476	A	96.4	Very high	95.9	Very high	3 Å²	3	16.4 Å²	16.4	3%	0.025	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-89.7	-13.5	-176.3	0	0	0	0	0	114.2	R422 Y473 P474 L637	R422-A476 WeakPolarHBondContact CB-O 3.32Å; Y473-A476 WeakPolarHBondContact O-CB 3.16Å; Y473-A476 PolarHBondContact O-N 3.45Å; P474-A476 PolarHBondContact O-N 3.49Å; A476-L637 HydrophobicContact CB-CB 4.45Å; A476-L637 HydrophobicContact CB-CD2 4.15Å
477	F	97.4	Very high	95.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.			trans	-118.5	129.1	-172.2	-70.4	-94	0	0	0	111.2	V415 R422 T466 L469 L470 Y473 F479 N550 Y553 I641	V415-F477 HydrophobicContact CG1-CE1 3.73Å; V415-F477 HydrophobicContact CG1-CZ 3.9Å; R422-F477 HydrophobicContact CB-CD1 3.81Å; R422-F477 HydrophobicContact CB-CE1 4.14Å; R422-F477 HydrophobicContact CB-CG 4.32Å; R422-F477 HydrophobicContact CG-CD1 3.76Å; R422-F477 HydrophobicContact CG-CE1 3.55Å; R422-F477 HydrophobicContact CG-CG 4.45Å; R422-F477 HydrophobicContact CG-CZ 4.02Å; R422-F477 WeakPolarHBondContact O-CA 3.36Å; T466-F477 HydrophobicContact CG2-CE1 4.35Å; L469-F477 HydrophobicContact CB-CE2 4Å; L469-F477 HydrophobicContact CB-CZ 3.66Å; L470-F477 HydrophobicContact CB-CD2 4.25Å; L470-F477 HydrophobicContact CB-CE2 4.5Å; L470-F477 HydrophobicContact CB-CG 4.41Å; L470-F477 HydrophobicContact CD1-CB 3.46Å; L470-F477 VanDerWaalsContact CD1-CB 3.46Å; L470-F477 HydrophobicContact CD1-CD2 4.05Å; L470-F477 HydrophobicContact CD1-CG 3.88Å; Y473-F477 WeakPolarHBondContact O-CD2 3.47Å; F477-F479 AromaticContact CD1-CE1 3.82Å; F477-F479 HydrophobicContact CD1-CE1 3.82Å; F477-F479 AromaticContact CD1-CE2 3.72Å; F477-F479 HydrophobicContact CD1-CE2 3.72Å; F477-F479 AromaticContact CD1-CZ 3.31Å; F477-F479 HydrophobicContact CD1-CZ 3.31Å; F477-F479 HydrophobicContact CE1-CE2 4.33Å; F477-F479 AromaticContact CE1-CZ 3.78Å; F477-F479 HydrophobicContact CE1-CZ 3.78Å; F477-F479 HydrophobicContact CG-CE2 4.47Å; F477-F479 HydrophobicContact CG-CZ 4.38Å; F477-N550 WeakPolarHBondContact O-CB 3.23Å; F477-N550 PolarHBondContact O-ND2 3.26Å; F477-Y553 WeakPolarHBondContact O-CB 3.38Å; F477-Y553 WeakPolarHBondContact O-CD2 3.35Å; F477-I641 HydrophobicContact CE2-CD1 3.65Å; F477-I641 HydrophobicContact CZ-CD1 3.73Å
478	E	95.8	Very high	95.6	Very high	40 Å²	40	16.1 Å²	16.1	19%	0.187	9%	0.086	C	C	.	.	S	Bend	trans	-72.1	-33.1	177.4	-172.8	-176.9	-163.5	0	0	111.9	R422 T423 I424 H549 N550 Y553	R422-E478 PolarHBondContact O-N 3.2Å; T423-E478 WeakPolarHBondContact CA-OE2 3.33Å; T423-E478 WeakPolarHBondContact CB-OE2 3.5Å; I424-E478 HydrophobicContact CD1-CG 4.33Å; I424-E478 HydrophobicContact CG1-CG 4.22Å; I424-E478 PolarHBondContact N-OE2 3.19Å; E478-H549 IonicContact OE1-CE1 2.59Å; E478-H549 IonicContact OE1-ND1 2.97Å; E478-N550 WeakPolarHBondContact O-CB 3.46Å; E478-N550 PolarHBondContact O-N 3.13Å; E478-Y553 VanDerWaalsContact CA-CG 3.43Å; E478-Y553 HydrophobicContact CB-CD1 3.79Å; E478-Y553 HydrophobicContact CB-CD2 4.19Å; E478-Y553 HydrophobicContact CB-CE1 3.77Å; E478-Y553 HydrophobicContact CB-CE2 4.15Å; E478-Y553 HydrophobicContact CB-CG 4Å; E478-Y553 HydrophobicContact CG-CD1 3.81Å; E478-Y553 HydrophobicContact CG-CE1 3.9Å; E478-Y553 HydrophobicContact CG-CG 4.4Å; E478-Y553 VanDerWaalsContact N-CD2 3.29Å
479	F	96.3	Very high	95.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-86.5	148.3	-178.6	55.2	-101.8	0	0	0	112.5	I424 F427 T466 F477 Y483 L484 F548	I424-F479 HydrophobicContact CG1-CB 3.79Å; F427-F479 HydrophobicContact CB-CD1 4.07Å; F427-F479 HydrophobicContact CB-CE1 3.64Å; F427-F479 HydrophobicContact CB-CZ 4.48Å; F427-F479 HydrophobicContact CD1-CE1 4.26Å; F427-F479 HydrophobicContact CD1-CZ 4.44Å; F427-F479 AromaticContact CD2-CE1 3.81Å; F427-F479 HydrophobicContact CD2-CE1 3.81Å; F427-F479 AromaticContact CD2-CZ 3.85Å; F427-F479 HydrophobicContact CD2-CZ 3.85Å; F427-F479 HydrophobicContact CE2-CZ 4.12Å; F427-F479 HydrophobicContact CG-CD1 4.33Å; F427-F479 AromaticContact CG-CE1 3.65Å; F427-F479 HydrophobicContact CG-CE1 3.65Å; F427-F479 HydrophobicContact CG-CZ 4.02Å; F427-F479 HydrophobicContact CZ-CZ 4.49Å; T466-F479 HydrophobicContact CG2-CE2 4.13Å; T466-F479 HydrophobicContact CG2-CZ 3.96Å; F477-F479 AromaticContact CD1-CE1 3.82Å; F477-F479 HydrophobicContact CD1-CE1 3.82Å; F477-F479 AromaticContact CD1-CE2 3.72Å; F477-F479 HydrophobicContact CD1-CE2 3.72Å; F477-F479 AromaticContact CD1-CZ 3.31Å; F477-F479 HydrophobicContact CD1-CZ 3.31Å; F477-F479 HydrophobicContact CE1-CE2 4.33Å; F477-F479 AromaticContact CE1-CZ 3.78Å; F477-F479 HydrophobicContact CE1-CZ 3.78Å; F477-F479 HydrophobicContact CG-CE2 4.47Å; F477-F479 HydrophobicContact CG-CZ 4.38Å; F479-Y483 HydrophobicContact CB-CD1 3.45Å; F479-Y483 VanDerWaalsContact CB-CD1 3.45Å; F479-Y483 HydrophobicContact CB-CE1 4.11Å; F479-Y483 HydrophobicContact CB-CG 3.89Å; F479-Y483 HydrophobicContact CD1-CD1 4.5Å; F479-Y483 HydrophobicContact CD2-CD1 4.08Å; F479-Y483 AromaticContact CG-CD1 3.79Å; F479-Y483 HydrophobicContact CG-CD1 3.79Å; F479-Y483 HydrophobicContact CG-CE1 4.24Å; F479-L484 HydrophobicContact CD2-CD1 4.5Å; F479-L484 HydrophobicContact CD2-CD2 4.02Å; F479-L484 HydrophobicContact CD2-CG 4.08Å; F479-L484 HydrophobicContact CE2-CD1 4.09Å; F479-L484 HydrophobicContact CE2-CD2 3.7Å; F479-L484 HydrophobicContact CE2-CG 4.01Å; F479-L484 HydrophobicContact CZ-CD2 4.4Å; F479-F548 CarbonylContact C-O 3.53Å; F479-F548 WeakPolarHBondContact CA-O 3.36Å
480	S	94.2	Very high	95.1	Very high	7 Å²	7	17.8 Å²	17.8	5%	0.049	10%	0.095	C	C	.	.			trans	-86.9	170.5	178	70.6	0	0	0	0	112.8	T482 Y483 L484 L547 F548	S480-T482 PolarHBondContact O-N 3.03Å; S480-T482 WeakPolarHBondContact OG-CB 3.47Å; S480-T482 PolarHBondContact OG-N 3.1Å; S480-Y483 WeakPolarHBondContact O-CB 3.49Å; S480-Y483 PolarHBondContact O-N 3.49Å; S480-Y483 PolarHBondContact OG-N 3.11Å; S480-L484 PolarHBondContact O-N 2.86Å; S480-L547 WeakPolarHBondContact CB-O 3.47Å; S480-L547 PolarHBondContact OG-O 2.8Å; S480-F548 PolarHBondContact N-O 3.32Å; S480-F548 PolarHBondContact OG-O 3.28Å
481	E	93.6	Very high	95	Very high	56 Å²	56	17.5 Å²	17.5	26%	0.262	9%	0.093	S	C	.	.	H	α-helix	trans	-60.4	-36.2	169.6	-175.6	-177.8	-174.6	0	0	111.9	W467 L470 Y483 L484 A485 W653 L655	W467-E481 VanDerWaalsContact NE1-CD 3.25Å; W467-E481 PolarHBondContact NE1-OE1 2.88Å; W467-E481 VanDerWaalsContact NE1-OE1 3.17Å; L470-E481 HydrophobicContact CD2-CB 4.3Å; E481-Y483 VanDerWaalsContact C-N 3.29Å; E481-Y483 PolarHBondContact O-N 3.02Å; E481-L484 PolarHBondContact O-N 3.16Å; E481-A485 PolarHBondContact O-N 3.04Å; E481-W653 HydrophobicContact CG-CZ2 4.44Å; E481-W653 PolarHBondContact OE1-NE1 2.8Å; E481-L655 HydrophobicContact CB-CD2 4.31Å; E481-L655 HydrophobicContact CG-CB 4.24Å; E481-L655 HydrophobicContact CG-CD2 3.59Å; E481-L655 WeakPolarHBondContact OE1-CB 3.47Å
482	T	92.1	Very high	94.8	Very high	12 Å²	12	15.5 Å²	15.5	7%	0.074	8%	0.082	C	C	.	.	H	α-helix	trans	-57.4	-43.4	174.8	-54.9	0	0	0	0	111	S480 L484 A485 V486 L547 P734 F735	S480-T482 PolarHBondContact O-N 3.03Å; S480-T482 WeakPolarHBondContact OG-CB 3.47Å; S480-T482 PolarHBondContact OG-N 3.1Å; T482-L484 PolarHBondContact O-N 3.34Å; T482-A485 WeakPolarHBondContact O-CB 3.44Å; T482-A485 PolarHBondContact O-N 3.15Å; T482-V486 HydrophobicContact CG2-CG2 4.21Å; T482-V486 VanDerWaalsContact O-CG2 3.29Å; T482-V486 WeakPolarHBondContact O-CG2 3.34Å; T482-V486 PolarHBondContact O-N 2.9Å; T482-L547 HydrophobicContact CG2-CB 4.25Å; T482-P734 HydrophobicContact CG2-CG 3.68Å; T482-F735 HydrophobicContact CG2-CE2 3.89Å; T482-F735 HydrophobicContact CG2-CZ 3.83Å
483	Y	96.1	Very high	94.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.8	-45.3	178.3	175.7	-104.1	0	0	0	112.5	I424 F427 Q428 F479 S480 E481 V486 L487 W536 F548	I424-Y483 HydrophobicContact CG2-CE2 4.39Å; F427-Y483 AromaticContact CD1-CE1 3.84Å; F427-Y483 HydrophobicContact CD1-CE1 3.84Å; F427-Y483 HydrophobicContact CE1-CE1 4.36Å; Q428-Y483 WeakPolarHBondContact CG-OH 3.44Å; Q428-Y483 PolarHBondContact NE2-OH 3.25Å; F479-Y483 HydrophobicContact CB-CD1 3.45Å; F479-Y483 VanDerWaalsContact CB-CD1 3.45Å; F479-Y483 HydrophobicContact CB-CE1 4.11Å; F479-Y483 HydrophobicContact CB-CG 3.89Å; F479-Y483 HydrophobicContact CD1-CD1 4.5Å; F479-Y483 HydrophobicContact CD2-CD1 4.08Å; F479-Y483 AromaticContact CG-CD1 3.79Å; F479-Y483 HydrophobicContact CG-CD1 3.79Å; F479-Y483 HydrophobicContact CG-CE1 4.24Å; S480-Y483 WeakPolarHBondContact O-CB 3.49Å; S480-Y483 PolarHBondContact O-N 3.49Å; S480-Y483 PolarHBondContact OG-N 3.11Å; E481-Y483 VanDerWaalsContact C-N 3.29Å; E481-Y483 PolarHBondContact O-N 3.02Å; Y483-V486 PolarHBondContact O-N 3.01Å; Y483-L487 HydrophobicContact CE1-CD2 4.42Å; Y483-L487 VanDerWaalsContact O-CB 3.31Å; Y483-L487 WeakPolarHBondContact O-CB 3.48Å; Y483-L487 PolarHBondContact O-N 3Å; Y483-W536 HydrophobicContact CD2-CZ2 4.42Å; Y483-W536 AromaticContact CE2-CE2 3.87Å; Y483-W536 HydrophobicContact CE2-CH2 4.45Å; Y483-W536 AromaticContact CE2-CZ2 3.59Å; Y483-W536 HydrophobicContact CE2-CZ2 3.59Å; Y483-W536 AromaticContact CE2-NE1 3.94Å; Y483-F548 HydrophobicContact CD2-CB 3.86Å; Y483-F548 HydrophobicContact CD2-CD1 4.15Å; Y483-F548 AromaticContact CD2-CD2 3.76Å; Y483-F548 HydrophobicContact CD2-CD2 3.76Å; Y483-F548 HydrophobicContact CD2-CE2 4.29Å; Y483-F548 AromaticContact CD2-CG 3.67Å; Y483-F548 HydrophobicContact CD2-CG 3.67Å; Y483-F548 HydrophobicContact CE2-CD2 4.28Å; Y483-F548 HydrophobicContact CG-CB 4.31Å; Y483-F548 HydrophobicContact CG-CG 4.42Å
484	L	97.6	Very high	94.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.2	-41.7	177.5	-62.4	179	0	0	0	111.9	F427 L463 T466 W467 L470 F479 S480 E481 T482 L487 C488 W653	F427-L484 HydrophobicContact CE1-CD2 3.72Å; F427-L484 HydrophobicContact CZ-CD2 3.9Å; L463-L484 HydrophobicContact CD2-CD2 4.1Å; T466-L484 HydrophobicContact CG2-CD1 4.36Å; T466-L484 HydrophobicContact CG2-CD2 4.36Å; W467-L484 HydrophobicContact CB-CD1 3.9Å; L470-L484 HydrophobicContact CD2-CD1 4.1Å; F479-L484 HydrophobicContact CD2-CD1 4.5Å; F479-L484 HydrophobicContact CD2-CD2 4.02Å; F479-L484 HydrophobicContact CD2-CG 4.08Å; F479-L484 HydrophobicContact CE2-CD1 4.09Å; F479-L484 HydrophobicContact CE2-CD2 3.7Å; F479-L484 HydrophobicContact CE2-CG 4.01Å; F479-L484 HydrophobicContact CZ-CD2 4.4Å; S480-L484 PolarHBondContact O-N 2.86Å; E481-L484 PolarHBondContact O-N 3.16Å; T482-L484 PolarHBondContact O-N 3.34Å; L484-L487 PolarHBondContact O-N 2.84Å; L484-C488 PolarHBondContact O-N 3.32Å; L484-W653 HydrophobicContact CB-CH2 3.61Å; L484-W653 HydrophobicContact CB-CZ2 3.69Å
485	A	93.6	Very high	94.2	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.1	-46.7	176.5	0	0	0	0	0	112.3	E481 T482 C488 D489 W653 L655 R659 F735	E481-A485 PolarHBondContact O-N 3.04Å; T482-A485 WeakPolarHBondContact O-CB 3.44Å; T482-A485 PolarHBondContact O-N 3.15Å; A485-C488 WeakPolarHBondContact O-CB 3.48Å; A485-C488 PolarHBondContact O-N 2.81Å; A485-D489 PolarHBondContact O-N 3.03Å; A485-D489 VanDerWaalsContact O-N 3.1Å; A485-W653 HydrophobicContact CB-CZ2 4.37Å; A485-L655 HydrophobicContact CB-CD2 3.95Å; A485-R659 VanDerWaalsContact CB-NH2 3.29Å; A485-F735 HydrophobicContact CB-CE2 4.28Å; A485-F735 HydrophobicContact CB-CZ 4.31Å
486	V	93.9	Very high	94.3	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.006	5%	0.051	C	C	.	.	H	α-helix	trans	-65.4	-40.3	177.7	171.8	0	0	0	0	111.5	Y90 T482 Y483 C488 D489 S490 W536 F540 F548 F735	Y90-V486 HydrophobicContact CE2-CG2 3.91Å; Y90-V486 WeakPolarHBondContact OH-CG2 3.46Å; T482-V486 HydrophobicContact CG2-CG2 4.21Å; T482-V486 VanDerWaalsContact O-CG2 3.29Å; T482-V486 WeakPolarHBondContact O-CG2 3.34Å; T482-V486 PolarHBondContact O-N 2.9Å; Y483-V486 PolarHBondContact O-N 3.01Å; V486-C488 VanDerWaalsContact C-N 3.3Å; V486-C488 PolarHBondContact O-N 3.14Å; V486-D489 WeakPolarHBondContact O-CB 3.35Å; V486-D489 PolarHBondContact O-N 3.38Å; V486-D489 VanDerWaalsContact O-N 3.11Å; V486-S490 PolarHBondContact O-N 3.38Å; V486-S490 PolarHBondContact O-OG 3.39Å; V486-W536 HydrophobicContact CG1-CH2 4.31Å; V486-W536 HydrophobicContact CG1-CZ3 3.75Å; V486-F540 HydrophobicContact CG1-CE2 3.42Å; V486-F540 VanDerWaalsContact CG1-CE2 3.42Å; V486-F540 HydrophobicContact CG1-CZ 3.57Å; V486-F548 HydrophobicContact CB-CE1 4.2Å; V486-F548 HydrophobicContact CB-CZ 4.48Å; V486-F548 HydrophobicContact CG1-CE1 4.19Å; V486-F548 HydrophobicContact CG1-CZ 4.01Å; V486-F548 HydrophobicContact CG2-CE1 4.05Å; V486-F735 HydrophobicContact CG2-CE1 4.31Å; V486-F735 HydrophobicContact CG2-CZ 3.86Å
487	L	96.1	Very high	94.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.7	-39.8	176.7	-174.3	60.2	0	0	0	112.1	F427 I431 F459 L463 Y483 L484 S490 F499 W534 W536	F427-L487 HydrophobicContact CD1-CD2 4.4Å; F427-L487 HydrophobicContact CE1-CD2 3.89Å; I431-L487 HydrophobicContact CD1-CD2 3.5Å; F459-L487 HydrophobicContact CZ-CG 4.48Å; L463-L487 HydrophobicContact CD2-CD2 4.1Å; Y483-L487 HydrophobicContact CE1-CD2 4.42Å; Y483-L487 VanDerWaalsContact O-CB 3.31Å; Y483-L487 WeakPolarHBondContact O-CB 3.48Å; Y483-L487 PolarHBondContact O-N 3Å; L484-L487 PolarHBondContact O-N 2.84Å; L487-S490 PolarHBondContact O-N 2.86Å; L487-F499 HydrophobicContact CD1-CE2 3.86Å; L487-F499 HydrophobicContact CD1-CZ 3.89Å; L487-W534 HydrophobicContact CD1-CH2 4.08Å; L487-W534 HydrophobicContact CD1-CZ3 3.67Å; L487-W536 HydrophobicContact CD1-CH2 3.96Å; L487-W536 HydrophobicContact CD1-CZ2 4.16Å
488	C	95.1	Very high	94.1	Very high	6 Å²	6	10.8 Å²	10.8	4%	0.041	6%	0.056	C	C	.	.	H	α-helix	trans	-60.5	-45.3	171.7	-178.2	0	0	0	0	111.3	L463 L484 A485 V486 S490 T491	L463-C488 HydrophobicContact CD1-CB 3.73Å; L484-C488 PolarHBondContact O-N 3.32Å; A485-C488 WeakPolarHBondContact O-CB 3.48Å; A485-C488 PolarHBondContact O-N 2.81Å; V486-C488 VanDerWaalsContact C-N 3.3Å; V486-C488 PolarHBondContact O-N 3.14Å; C488-S490 VanDerWaalsContact C-N 3.31Å; C488-S490 PolarHBondContact O-N 2.8Å; C488-T491 WeakPolarHBondContact O-CB 3.43Å; C488-T491 PolarHBondContact O-N 3.06Å; C488-T491 PolarHBondContact O-OG1 3.01Å
489	D	92.9	Very high	94.1	Very high	34 Å²	34	9.1 Å²	9.1	18%	0.182	5%	0.048	C	C	.	.	H	α-helix	trans	-61.8	-39.5	178.5	-63.4	-12.4	0	0	0	111.9	A485 V486 T491 R492 R659	A485-D489 PolarHBondContact O-N 3.03Å; A485-D489 VanDerWaalsContact O-N 3.1Å; V486-D489 WeakPolarHBondContact O-CB 3.35Å; V486-D489 PolarHBondContact O-N 3.38Å; V486-D489 VanDerWaalsContact O-N 3.11Å; D489-T491 PolarHBondContact O-N 3.01Å; D489-T491 VanDerWaalsContact O-N 3.16Å; D489-R492 WeakPolarHBondContact O-CB 3Å; D489-R492 PolarHBondContact O-N 3.25Å; D489-R659 IonicContact OD1-CZ 3.18Å; D489-R659 IonicContact OD1-NH1 3.82Å; D489-R659 PolarHBondContact OD1-NH1 3.25Å; D489-R659 IonicContact OD1-NH2 3.62Å; D489-R659 IonicContact OD2-CZ 2.86Å; D489-R659 IonicContact OD2-NH1 3.12Å; D489-R659 PolarHBondContact OD2-NH1 2.87Å
490	S	94.1	Very high	94	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.007	5%	0.049	C	C	.	.	H	α-helix	trans	-61.1	-24.2	179.1	-60.7	0	0	0	0	113.3	V486 L487 C488 R492 I493 V533 Q539	V486-S490 PolarHBondContact O-N 3.38Å; V486-S490 PolarHBondContact O-OG 3.39Å; L487-S490 PolarHBondContact O-N 2.86Å; C488-S490 VanDerWaalsContact C-N 3.31Å; C488-S490 PolarHBondContact O-N 2.8Å; S490-R492 PolarHBondContact O-N 3.31Å; S490-I493 PolarHBondContact O-N 3.17Å; S490-V533 VanDerWaalsContact CB-CG2 3.4Å; S490-Q539 PolarHBondContact OG-OE1 3.1Å
491	T	94.5	Very high	94.1	Very high	5 Å²	5	9.4 Å²	9.4	3%	0.031	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.8	171.8	69.6	0	0	0	0	113.1	H448 F459 C488 D489 F499	H448-T491 PolarHBondContact CE1-O 3.49Å; H448-T491 PolarHBondContact NE2-O 3.16Å; F459-T491 HydrophobicContact CD1-CG2 3.65Å; F459-T491 HydrophobicContact CE1-CG2 3.62Å; C488-T491 WeakPolarHBondContact O-CB 3.43Å; C488-T491 PolarHBondContact O-N 3.06Å; C488-T491 PolarHBondContact O-OG1 3.01Å; D489-T491 PolarHBondContact O-N 3.01Å; D489-T491 VanDerWaalsContact O-N 3.16Å; T491-F499 HydrophobicContact CG2-CD2 3.88Å; T491-F499 HydrophobicContact CG2-CE2 4.16Å; T491-F499 HydrophobicContact CG2-CG 4.29Å
492	R	91.7	Very high	94.2	Very high	32 Å²	32	7.4 Å²	7.4	12%	0.121	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-7.7	-177.8	-56.1	177.8	174.8	4.8	6.4	112.2	T103 C104 K139 D489 S490	T103-R492 PolarHBondContact OG1-O 2.93Å; C104-R492 HydrophobicContact CB-CB 4.19Å; K139-R492 PolarHBondContact O-NE 2.87Å; K139-R492 PolarHBondContact O-NH2 3.49Å; D489-R492 WeakPolarHBondContact O-CB 3Å; D489-R492 PolarHBondContact O-N 3.25Å; S490-R492 PolarHBondContact O-N 3.31Å
493	I	92.9	Very high	94.4	Very high	10 Å²	10	7.4 Å²	7.4	5%	0.051	4%	0.041	C	C	.	.			trans	-94.1	105.8	178.8	-55.1	178.8	0	0	0	108	F73 L95 P101 S490 L495 F496	F73-I493 HydrophobicContact CE2-CG2 4.09Å; F73-I493 HydrophobicContact CZ-CG2 3.95Å; L95-I493 HydrophobicContact CD1-CD1 3.9Å; L95-I493 HydrophobicContact CD1-CG1 4.18Å; P101-I493 HydrophobicContact CG-CG1 4.35Å; S490-I493 PolarHBondContact O-N 3.17Å; I493-L495 HydrophobicContact CG2-CB 3.88Å; I493-L495 PolarHBondContact O-N 2.83Å; I493-F496 HydrophobicContact CB-CD2 4.33Å; I493-F496 HydrophobicContact CB-CE2 4.24Å; I493-F496 HydrophobicContact CD1-CE2 4.5Å; I493-F496 HydrophobicContact CG2-CD2 4.31Å; I493-F496 HydrophobicContact CG2-CE2 3.98Å
494	S	88.9	Confident	94.3	Very high	5 Å²	5	7.6 Å²	7.6	4%	0.035	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	49.8	-179.2	55.4	0	0	0	0	113.3	T103 A177	T103-S494 PolarHBondContact OG1-OG 3.36Å; A177-S494 WeakPolarHBondContact CA-O 3.23Å; A177-S494 VanDerWaalsContact CB-O 3.25Å; A177-S494 WeakPolarHBondContact CB-O 3.19Å; A177-S494 PolarHBondContact N-O 3.16Å
495	L	92	Very high	94.2	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-38.5	177.4	-174.9	68.5	0	0	0	111.7	L94 F176 Y180 I493 P531 L538	L94-L495 HydrophobicContact CD1-CD2 3.52Å; L94-L495 HydrophobicContact CD2-CD2 3.98Å; L94-L495 HydrophobicContact CG-CD2 4.39Å; F176-L495 HydrophobicContact CD1-CD1 3.96Å; F176-L495 HydrophobicContact CE1-CD1 3.88Å; Y180-L495 HydrophobicContact CD1-CD1 3.56Å; Y180-L495 HydrophobicContact CD2-CD1 3.72Å; Y180-L495 HydrophobicContact CE1-CD1 4.05Å; Y180-L495 HydrophobicContact CE2-CD1 4.16Å; Y180-L495 HydrophobicContact CG-CD1 3.39Å; I493-L495 HydrophobicContact CG2-CB 3.88Å; I493-L495 PolarHBondContact O-N 2.83Å; L495-P531 HydrophobicContact CG-CG 4.48Å; L495-L538 HydrophobicContact CD2-CD2 4.18Å
496	F	94.4	Very high	94.3	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.009	6%	0.063	C	C	.	.			trans	-89.6	124.2	-170	-57.8	-73.8	0	0	0	111.8	L94 I493 T498 F499 L500 P531 S532 V533 L538 Q539	L94-F496 HydrophobicContact CD1-CE2 4.08Å; L94-F496 HydrophobicContact CD1-CZ 3.66Å; I493-F496 HydrophobicContact CB-CD2 4.33Å; I493-F496 HydrophobicContact CB-CE2 4.24Å; I493-F496 HydrophobicContact CD1-CE2 4.5Å; I493-F496 HydrophobicContact CG2-CD2 4.31Å; I493-F496 HydrophobicContact CG2-CE2 3.98Å; F496-T498 PolarHBondContact O-N 3.23Å; F496-T498 VanDerWaalsContact O-N 3.1Å; F496-F499 PolarHBondContact O-N 3.44Å; F496-L500 WeakPolarHBondContact O-CB 3.4Å; F496-P531 CarbonylContact C-O 3.57Å; F496-P531 VanDerWaalsContact CA-O 3.25Å; F496-P531 WeakPolarHBondContact CA-O 3.49Å; F496-P531 HydrophobicContact CD1-CB 3.85Å; F496-P531 HydrophobicContact CE1-CB 4.18Å; F496-S532 WeakPolarHBondContact CD1-O 3.21Å; F496-V533 HydrophobicContact CB-CB 4.07Å; F496-V533 HydrophobicContact CD1-CB 4.28Å; F496-V533 HydrophobicContact CD2-CB 4.48Å; F496-V533 HydrophobicContact CD2-CG2 4.25Å; F496-V533 HydrophobicContact CG-CB 4.03Å; F496-V533 HydrophobicContact CG-CG2 4.29Å; F496-L538 HydrophobicContact CE1-CD2 3.91Å; F496-L538 HydrophobicContact CZ-CD2 4.46Å; F496-Q539 HydrophobicContact CE1-CG 4.24Å; F496-Q539 HydrophobicContact CE2-CG 4.04Å; F496-Q539 HydrophobicContact CZ-CG 3.37Å
497	G	93.8	Very high	94.4	Very high	7 Å²	7	14.1 Å²	14.1	7%	0.072	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-62.9	-18.9	178.1	0	0	0	0	0	113.7	F499 P531	G497-F499 VanDerWaalsContact C-N 3.33Å; G497-F499 PolarHBondContact O-N 3.14Å; G497-P531 PolarHBondContact N-O 3.49Å
498	T	95.6	Very high	94.3	Very high	9 Å²	9	15.9 Å²	15.9	6%	0.055	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-58.1	-40.4	178.6	-49.6	0	0	0	0	112.7	V436 F496 S532 V533 W534	V436-T498 HydrophobicContact CG2-CG2 3.68Å; V436-T498 WeakPolarHBondContact CG2-O 3.46Å; F496-T498 PolarHBondContact O-N 3.23Å; F496-T498 VanDerWaalsContact O-N 3.1Å; T498-S532 PolarHBondContact OG1-OG 3.01Å; T498-V533 HydrophobicContact CG2-CG1 3.68Å; T498-V533 PolarHBondContact OG1-N 3.4Å; T498-V533 VanDerWaalsContact OG1-N 3.09Å; T498-W534 HydrophobicContact CG2-CZ2 4.06Å
499	F	96.1	Very high	94.3	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.018	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-120.9	19.3	-174.2	-55.4	-42.1	0	0	0	113.4	I431 V436 F442 F459 L487 T491 F496 G497 V533 W534	I431-F499 HydrophobicContact CG2-CE1 3.89Å; I431-F499 HydrophobicContact CG2-CZ 4.19Å; V436-F499 HydrophobicContact CG2-CD1 4.48Å; V436-F499 HydrophobicContact CG2-CE1 4.3Å; F442-F499 WeakPolarHBondContact CB-O 3.46Å; F442-F499 HydrophobicContact CD1-CB 4.03Å; F442-F499 AromaticContact CD1-CD1 3.93Å; F442-F499 HydrophobicContact CD1-CD1 3.93Å; F442-F499 HydrophobicContact CD1-CG 4.27Å; F442-F499 HydrophobicContact CD2-CD1 4.13Å; F442-F499 HydrophobicContact CE1-CB 4.42Å; F442-F499 AromaticContact CE1-CD1 3.49Å; F442-F499 HydrophobicContact CE1-CD1 3.49Å; F442-F499 VanDerWaalsContact CE1-CD1 3.49Å; F442-F499 HydrophobicContact CE1-CE1 4.01Å; F442-F499 HydrophobicContact CE1-CG 4.15Å; F442-F499 AromaticContact CE2-CD1 3.71Å; F442-F499 HydrophobicContact CE2-CD1 3.71Å; F442-F499 HydrophobicContact CE2-CE1 4.22Å; F442-F499 HydrophobicContact CG-CB 4.2Å; F442-F499 HydrophobicContact CG-CD1 4.24Å; F442-F499 AromaticContact CZ-CD1 3.38Å; F442-F499 HydrophobicContact CZ-CD1 3.38Å; F442-F499 AromaticContact CZ-CE1 3.66Å; F442-F499 HydrophobicContact CZ-CE1 3.66Å; F442-F499 HydrophobicContact CZ-CG 4.44Å; F459-F499 HydrophobicContact CE1-CZ 4.34Å; F459-F499 HydrophobicContact CZ-CE1 4.2Å; F459-F499 HydrophobicContact CZ-CZ 4.05Å; L487-F499 HydrophobicContact CD1-CE2 3.86Å; L487-F499 HydrophobicContact CD1-CZ 3.89Å; T491-F499 HydrophobicContact CG2-CD2 3.88Å; T491-F499 HydrophobicContact CG2-CE2 4.16Å; T491-F499 HydrophobicContact CG2-CG 4.29Å; F496-F499 PolarHBondContact O-N 3.44Å; G497-F499 VanDerWaalsContact C-N 3.33Å; G497-F499 PolarHBondContact O-N 3.14Å; F499-V533 HydrophobicContact CD2-CG1 4.5Å; F499-V533 HydrophobicContact CE2-CB 4.24Å; F499-V533 HydrophobicContact CE2-CG1 3.82Å; F499-V533 HydrophobicContact CE2-CG2 4.07Å; F499-V533 HydrophobicContact CZ-CG1 4.02Å; F499-W534 HydrophobicContact CZ-CH2 4.25Å
500	L	95.1	Very high	94.4	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.01	10%	0.098	C	C	.	.	S	Bend	trans	-97.8	-20.1	-172.3	-167.6	65.2	0	0	0	114.1	L175 A177 F178 L443 F496 F530	L175-L500 HydrophobicContact CB-CD1 4.45Å; L175-L500 HydrophobicContact CD1-CD1 3.45Å; L175-L500 VanDerWaalsContact CD1-CD1 3.45Å; L175-L500 HydrophobicContact CD1-CG 4.36Å; A177-L500 HydrophobicContact CB-CD2 3.44Å; A177-L500 VanDerWaalsContact CB-CD2 3.44Å; F178-L500 HydrophobicContact CE2-CD2 4.41Å; L443-L500 WeakPolarHBondContact CD1-O 3.28Å; F496-L500 WeakPolarHBondContact O-CB 3.4Å; L500-F530 HydrophobicContact CD2-CD1 4.46Å; L500-F530 HydrophobicContact CD2-CE1 4.4Å
501	F	96.2	Very high	94.4	Very high	11 Å²	11	20.3 Å²	20.3	5%	0.048	10%	0.098	C	C	.	.			trans	-122.9	160	-169.1	-55.5	-84	0	0	0	111.9	L172 F178 R507 Q510 F530	L172-F501 HydrophobicContact CD2-CD1 3.81Å; L172-F501 HydrophobicContact CD2-CE1 3.76Å; F178-F501 HydrophobicContact CE2-CE1 4.38Å; F178-F501 HydrophobicContact CE2-CZ 4.44Å; F178-F501 AromaticContact CZ-CE1 3.99Å; F178-F501 HydrophobicContact CZ-CE1 3.99Å; F178-F501 HydrophobicContact CZ-CZ 4.17Å; F501-R507 HydrophobicContact CB-CB 4.1Å; F501-R507 HydrophobicContact CD1-CB 3.88Å; F501-R507 HydrophobicContact CD1-CG 4.45Å; F501-R507 HydrophobicContact CD2-CB 3.59Å; F501-R507 HydrophobicContact CD2-CG 3.63Å; F501-R507 HydrophobicContact CE1-CB 4.18Å; F501-R507 HydrophobicContact CE1-CG 4.33Å; F501-R507 HydrophobicContact CE2-CB 3.92Å; F501-R507 HydrophobicContact CE2-CG 3.49Å; F501-R507 VanDerWaalsContact CE2-CG 3.49Å; F501-R507 HydrophobicContact CG-CB 3.58Å; F501-R507 HydrophobicContact CG-CG 4.13Å; F501-R507 HydrophobicContact CZ-CB 4.2Å; F501-R507 HydrophobicContact CZ-CG 3.87Å; F501-Q510 HydrophobicContact CE1-CB 4.33Å; F501-F530 HydrophobicContact CE2-CD2 4.16Å; F501-F530 HydrophobicContact CE2-CE2 4.23Å; F501-F530 HydrophobicContact CE2-CG 4.46Å; F501-F530 HydrophobicContact CZ-CD2 4.16Å; F501-F530 HydrophobicContact CZ-CE1 4.33Å; F501-F530 AromaticContact CZ-CE2 3.75Å; F501-F530 HydrophobicContact CZ-CE2 3.75Å; F501-F530 AromaticContact CZ-CZ 3.85Å; F501-F530 HydrophobicContact CZ-CZ 3.85Å
502	N	95.6	Very high	94.3	Very high	14 Å²	14	22.4 Å²	22.4	8%	0.075	11%	0.111	C	C	.	.	S	Bend	trans	-87	-17.2	175.9	-68.3	-30.7	0	0	0	113.9	G439 Q441 F442 L443 D444	G439-N502 CarbonylContact C-O 3.55Å; G439-N502 VanDerWaalsContact O-O 3.08Å; Q441-N502 WeakPolarHBondContact CA-OD1 3.4Å; Q441-N502 HydrophobicContact CB-CB 4.23Å; Q441-N502 WeakPolarHBondContact CB-OD1 3.42Å; Q441-N502 HydrophobicContact CG-CB 4.18Å; Q441-N502 PolarHBondContact O-OD1 2.93Å; F442-N502 PolarHBondContact N-OD1 3.23Å; L443-N502 VanDerWaalsContact CB-OD1 3.28Å; L443-N502 WeakPolarHBondContact CB-OD1 3.36Å; L443-N502 PolarHBondContact N-OD1 3.1Å; L443-N502 VanDerWaalsContact N-OD1 3.09Å; D444-N502 PolarHBondContact N-OD1 3.04Å; D444-N502 VanDerWaalsContact N-OD1 3.14Å; D444-N502 PolarHBondContact OD1-ND2 3.09Å; D444-N502 PolarHBondContact OD2-ND2 3.19Å; D444-N502 VanDerWaalsContact OD2-ND2 3.09Å
503	S	95.4	Very high	94.4	Very high	13 Å²	13	24.6 Å²	24.6	9%	0.091	12%	0.123	C	C	.	.	S	Bend	trans	-160.9	160	172.6	74.1	0	0	0	0	111.6	T248 H505 Q506 R507	T248-S503 PolarHBondContact O-OG 3.11Å; S503-H505 PolarHBondContact O-N 3.26Å; S503-H505 PolarHBondContact OG-N 3.03Å; S503-Q506 PolarHBondContact O-N 3.47Å; S503-Q506 VanDerWaalsContact O-N 3.13Å; S503-Q506 PolarHBondContact OG-N 3.48Å; S503-Q506 VanDerWaalsContact OG-N 3.12Å; S503-R507 PolarHBondContact O-N 2.97Å; S503-R507 VanDerWaalsContact O-N 3.12Å
504	P	95.1	Very high	94.5	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.019	12%	0.122	C	C	.	.	H	α-helix	trans	-55.5	-36.8	171.6	-27.3	36.2	0	0	0	113	Y244 M437 R507 V508	Y244-P504 HydrophobicContact CE1-CB 4.16Å; Y244-P504 VanDerWaalsContact OH-C 3.25Å; Y244-P504 VanDerWaalsContact OH-CB 3.3Å; Y244-P504 WeakPolarHBondContact OH-CB 3.45Å; Y244-P504 PolarHBondContact OH-O 3.19Å; M437-P504 HydrophobicContact CE-CB 4.01Å; M437-P504 HydrophobicContact CE-CG 3.67Å; M437-P504 WeakPolarHBondContact O-CG 3.48Å; M437-P504 HydrophobicContact SD-CG 4.06Å; P504-R507 WeakPolarHBondContact O-CB 3.26Å; P504-R507 PolarHBondContact O-N 3.37Å; P504-V508 WeakPolarHBondContact O-CG2 3.44Å; P504-V508 PolarHBondContact O-N 3.2Å; P504-V508 VanDerWaalsContact O-N 3.09Å
505	H	95.6	Very high	94.6	Very high	52 Å²	52	24.4 Å²	24.4	24%	0.241	12%	0.121	C	C	.	.	H	α-helix	trans	-63	-46.7	174.4	172.1	-98.3	0	0	0	112.3	Y244 T248 S503 R507 V508 K509	Y244-H505 HydrophobicContact CD1-CB 3.63Å; Y244-H505 HydrophobicContact CD2-CB 4.08Å; Y244-H505 AromaticContact CD2-CD2 3.61Å; Y244-H505 HydrophobicContact CE1-CB 3.71Å; Y244-H505 HydrophobicContact CE2-CB 4.17Å; Y244-H505 HydrophobicContact CG-CB 3.8Å; Y244-H505 AromaticContact CG-CD2 3.63Å; Y244-H505 PolarHBondContact OH-N 2.95Å; T248-H505 VanDerWaalsContact O-CB 3.28Å; T248-H505 WeakPolarHBondContact O-CB 3.48Å; S503-H505 PolarHBondContact O-N 3.26Å; S503-H505 PolarHBondContact OG-N 3.03Å; H505-R507 VanDerWaalsContact C-N 3.26Å; H505-R507 PolarHBondContact O-N 2.74Å; H505-V508 PolarHBondContact O-N 2.86Å; H505-K509 WeakPolarHBondContact O-CB 3.29Å; H505-K509 PolarHBondContact O-N 3.21Å
506	Q	95.9	Very high	94.6	Very high	45 Å²	45	30.1 Å²	30.1	21%	0.21	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-40.9	179	-171.4	-171.5	40.5	0	0	110.8	S503 K509 Q510	S503-Q506 PolarHBondContact O-N 3.47Å; S503-Q506 VanDerWaalsContact O-N 3.13Å; S503-Q506 PolarHBondContact OG-N 3.48Å; S503-Q506 VanDerWaalsContact OG-N 3.12Å; Q506-K509 PolarHBondContact O-N 2.83Å; Q506-Q510 HydrophobicContact CG-CG 4.12Å; Q506-Q510 VanDerWaalsContact O-CB 3.26Å; Q506-Q510 WeakPolarHBondContact O-CB 3.44Å; Q506-Q510 VanDerWaalsContact O-CG 3.26Å; Q506-Q510 WeakPolarHBondContact O-CG 3.43Å; Q506-Q510 PolarHBondContact O-N 3.19Å
507	R	95.3	Very high	94.6	Very high	41 Å²	41	33.3 Å²	33.3	16%	0.155	17%	0.174	C	C	.	.	H	α-helix	trans	-57.1	-51.2	174.4	177.8	-178.5	65.3	-176.5	6.6	111.9	E218 F501 S503 P504 H505 S511	E218-R507 IonicContact OE1-CZ 3.55Å; E218-R507 IonicContact OE1-NH1 3.63Å; E218-R507 PolarHBondContact OE1-NH1 2.7Å; E218-R507 IonicContact OE1-NH2 2.84Å; E218-R507 PolarHBondContact OE1-NH2 3.06Å; F501-R507 HydrophobicContact CB-CB 4.1Å; F501-R507 HydrophobicContact CD1-CB 3.88Å; F501-R507 HydrophobicContact CD1-CG 4.45Å; F501-R507 HydrophobicContact CD2-CB 3.59Å; F501-R507 HydrophobicContact CD2-CG 3.63Å; F501-R507 HydrophobicContact CE1-CB 4.18Å; F501-R507 HydrophobicContact CE1-CG 4.33Å; F501-R507 HydrophobicContact CE2-CB 3.92Å; F501-R507 HydrophobicContact CE2-CG 3.49Å; F501-R507 VanDerWaalsContact CE2-CG 3.49Å; F501-R507 HydrophobicContact CG-CB 3.58Å; F501-R507 HydrophobicContact CG-CG 4.13Å; F501-R507 HydrophobicContact CZ-CB 4.2Å; F501-R507 HydrophobicContact CZ-CG 3.87Å; S503-R507 PolarHBondContact O-N 2.97Å; S503-R507 VanDerWaalsContact O-N 3.12Å; P504-R507 WeakPolarHBondContact O-CB 3.26Å; P504-R507 PolarHBondContact O-N 3.37Å; H505-R507 VanDerWaalsContact C-N 3.26Å; H505-R507 PolarHBondContact O-N 2.74Å; R507-S511 WeakPolarHBondContact O-CB 3.43Å; R507-S511 PolarHBondContact O-N 3.06Å
508	V	93.9	Very high	94.5	Very high	37 Å²	37	37.3 Å²	37.3	22%	0.224	19%	0.189	C	C	.	.	H	α-helix	trans	-60.6	-50.3	178.6	171.2	0	0	0	0	110.7	Y244 P504 H505 Q510 S511 T512	Y244-V508 HydrophobicContact CE2-CB 4.43Å; Y244-V508 HydrophobicContact CE2-CG2 4.22Å; P504-V508 WeakPolarHBondContact O-CG2 3.44Å; P504-V508 PolarHBondContact O-N 3.2Å; P504-V508 VanDerWaalsContact O-N 3.09Å; H505-V508 PolarHBondContact O-N 2.86Å; V508-Q510 PolarHBondContact O-N 3.07Å; V508-S511 WeakPolarHBondContact O-CB 3.24Å; V508-S511 PolarHBondContact O-N 3.13Å; V508-T512 PolarHBondContact O-N 3.1Å; V508-T512 PolarHBondContact O-OG1 3.13Å; V508-T512 VanDerWaalsContact O-OG1 3.06Å
509	K	94.8	Very high	94.2	Very high	105 Å²	105	43.8 Å²	43.8	46%	0.457	22%	0.223	S	C	.	.	H	α-helix	trans	-56	-54.1	-179.9	178.4	178.7	174.1	179.5	0	112.1	H505 Q506 S511 T512 E513	H505-K509 WeakPolarHBondContact O-CB 3.29Å; H505-K509 PolarHBondContact O-N 3.21Å; Q506-K509 PolarHBondContact O-N 2.83Å; K509-S511 VanDerWaalsContact C-N 3.3Å; K509-S511 PolarHBondContact O-N 3.04Å; K509-T512 PolarHBondContact O-N 2.98Å; K509-E513 WeakPolarHBondContact CE-OE1 3.36Å; K509-E513 WeakPolarHBondContact CG-OE1 3.17Å; K509-E513 IonicContact NZ-OE1 3.92Å; K509-E513 WeakPolarHBondContact O-CG 3.45Å; K509-E513 PolarHBondContact O-N 3.29Å
510	Q	95.2	Very high	94	Very high	27 Å²	27	44.4 Å²	44.4	13%	0.126	23%	0.227	C	C	.	.	H	α-helix	trans	-67.6	-35.3	-175.8	-72.6	-69.9	-31.1	0	0	112.2	L172 F178 F501 Q506 V508 E513 F514	L172-Q510 HydrophobicContact CD2-CB 4Å; L172-Q510 HydrophobicContact CD2-CG 3.65Å; F178-Q510 HydrophobicContact CZ-CB 4.13Å; F501-Q510 HydrophobicContact CE1-CB 4.33Å; Q506-Q510 HydrophobicContact CG-CG 4.12Å; Q506-Q510 VanDerWaalsContact O-CB 3.26Å; Q506-Q510 WeakPolarHBondContact O-CB 3.44Å; Q506-Q510 VanDerWaalsContact O-CG 3.26Å; Q506-Q510 WeakPolarHBondContact O-CG 3.43Å; Q506-Q510 PolarHBondContact O-N 3.19Å; V508-Q510 PolarHBondContact O-N 3.07Å; Q510-E513 PolarHBondContact NE2-OE2 3.06Å; Q510-E513 VanDerWaalsContact NE2-OE2 3.12Å; Q510-F514 WeakPolarHBondContact O-CB 3.25Å; Q510-F514 PolarHBondContact O-N 3.02Å
511	S	93.6	Very high	93.5	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.014	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-46.2	172.3	174.4	0	0	0	0	112.7	R507 V508 K509 A515 G527 L528	R507-S511 WeakPolarHBondContact O-CB 3.43Å; R507-S511 PolarHBondContact O-N 3.06Å; V508-S511 WeakPolarHBondContact O-CB 3.24Å; V508-S511 PolarHBondContact O-N 3.13Å; K509-S511 VanDerWaalsContact C-N 3.3Å; K509-S511 PolarHBondContact O-N 3.04Å; S511-A515 WeakPolarHBondContact O-CB 3.36Å; S511-A515 PolarHBondContact O-N 3.27Å; S511-G527 WeakPolarHBondContact OG-CA 3.46Å; S511-L528 WeakPolarHBondContact OG-CA 3.18Å; S511-L528 WeakPolarHBondContact OG-CB 3.35Å; S511-L528 VanDerWaalsContact OG-CG 3.23Å; S511-L528 WeakPolarHBondContact OG-CG 3.4Å; S511-L528 PolarHBondContact OG-N 3.49Å
512	T	92.9	Very high	92.8	Very high	50 Å²	50	54.1 Å²	54.1	31%	0.307	27%	0.273	S	S	.	.	H	α-helix	trans	-67.6	-43.6	-179.2	-60.2	0	0	0	0	110.6	V508 K509 F514 A515 I516	V508-T512 PolarHBondContact O-N 3.1Å; V508-T512 PolarHBondContact O-OG1 3.13Å; V508-T512 VanDerWaalsContact O-OG1 3.06Å; K509-T512 PolarHBondContact O-N 2.98Å; T512-F514 VanDerWaalsContact C-N 3.35Å; T512-F514 PolarHBondContact O-N 3.26Å; T512-A515 PolarHBondContact O-N 3.06Å; T512-I516 HydrophobicContact CG2-CD1 3.97Å; T512-I516 VanDerWaalsContact O-CG1 3.29Å; T512-I516 WeakPolarHBondContact O-CG1 3.42Å; T512-I516 PolarHBondContact O-N 3.34Å
513	E	94.1	Very high	92.1	Very high	78 Å²	78	56.9 Å²	56.9	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-58.1	-44.7	175.5	-73.4	171.7	179.6	0	0	111.8	K509 Q510 S517	K509-E513 WeakPolarHBondContact CE-OE1 3.36Å; K509-E513 WeakPolarHBondContact CG-OE1 3.17Å; K509-E513 IonicContact NZ-OE1 3.92Å; K509-E513 WeakPolarHBondContact O-CG 3.45Å; K509-E513 PolarHBondContact O-N 3.29Å; Q510-E513 PolarHBondContact NE2-OE2 3.06Å; Q510-E513 VanDerWaalsContact NE2-OE2 3.12Å; E513-S517 PolarHBondContact O-N 2.62Å
514	F	94.5	Very high	91.1	Very high	7 Å²	7	64.6 Å²	64.6	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-67	-41.3	176.3	-175.2	-92	0	0	0	112.9	Q173 F178 Q510 T512 I516 S517 K518 I520 L528	Q173-F514 HydrophobicContact CB-CD2 4Å; Q173-F514 HydrophobicContact CG-CB 4.41Å; Q173-F514 HydrophobicContact CG-CD2 4.18Å; F178-F514 HydrophobicContact CB-CD2 4.04Å; F178-F514 HydrophobicContact CB-CE1 4.31Å; F178-F514 HydrophobicContact CB-CE2 3.7Å; F178-F514 HydrophobicContact CB-CG 4.47Å; F178-F514 HydrophobicContact CB-CZ 3.82Å; F178-F514 HydrophobicContact CD1-CB 3.72Å; F178-F514 HydrophobicContact CD1-CD1 4Å; F178-F514 AromaticContact CD1-CD2 3.66Å; F178-F514 HydrophobicContact CD1-CD2 3.66Å; F178-F514 HydrophobicContact CD1-CE1 4.49Å; F178-F514 HydrophobicContact CD1-CE2 4.2Å; F178-F514 AromaticContact CD1-CG 3.52Å; F178-F514 HydrophobicContact CD1-CG 3.52Å; F178-F514 HydrophobicContact CE1-CB 3.9Å; F178-F514 HydrophobicContact CE1-CG 4.22Å; F178-F514 HydrophobicContact CG-CD2 4.19Å; F178-F514 HydrophobicContact CG-CE2 4.35Å; F178-F514 HydrophobicContact CG-CG 4.42Å; F178-F514 WeakPolarHBondContact O-CE1 3.29Å; F178-F514 WeakPolarHBondContact O-CZ 2.86Å; Q510-F514 WeakPolarHBondContact O-CB 3.25Å; Q510-F514 PolarHBondContact O-N 3.02Å; T512-F514 VanDerWaalsContact C-N 3.35Å; T512-F514 PolarHBondContact O-N 3.26Å; F514-I516 VanDerWaalsContact C-N 3.31Å; F514-I516 PolarHBondContact O-N 3.04Å; F514-S517 PolarHBondContact O-N 3.16Å; F514-S517 PolarHBondContact O-OG 2.96Å; F514-K518 HydrophobicContact CD1-CG 4.08Å; F514-K518 HydrophobicContact CD2-CG 4.38Å; F514-K518 HydrophobicContact CE1-CB 4.43Å; F514-K518 HydrophobicContact CE1-CG 3.71Å; F514-K518 HydrophobicContact CE2-CG 4.02Å; F514-K518 HydrophobicContact CG-CG 4.44Å; F514-K518 HydrophobicContact CZ-CD 4.37Å; F514-K518 HydrophobicContact CZ-CG 3.69Å; F514-K518 WeakPolarHBondContact O-CB 3.24Å; F514-K518 PolarHBondContact O-N 2.59Å; F514-I520 HydrophobicContact CD1-CD1 4.33Å; F514-I520 HydrophobicContact CE1-CD1 4.14Å; F514-L528 HydrophobicContact CB-CD1 4.21Å; F514-L528 HydrophobicContact CD1-CD1 3.61Å; F514-L528 HydrophobicContact CE1-CD1 4.4Å; F514-L528 HydrophobicContact CG-CD1 4.28Å
515	A	92.6	Very high	90.4	Very high	3 Å²	3	68.6 Å²	68.6	3%	0.025	36%	0.363	C	S	.	.	H	α-helix	trans	-61.3	-41.9	178.2	0	0	0	0	0	111.4	S511 T512 K518 N519 I520 L522 L528	S511-A515 WeakPolarHBondContact O-CB 3.36Å; S511-A515 PolarHBondContact O-N 3.27Å; T512-A515 PolarHBondContact O-N 3.06Å; A515-K518 PolarHBondContact O-N 3.49Å; A515-N519 PolarHBondContact O-N 3.45Å; A515-I520 HydrophobicContact CB-CB 4.14Å; A515-I520 PolarHBondContact O-N 3.05Å; A515-L522 HydrophobicContact CB-CD1 3.67Å; A515-L522 HydrophobicContact CB-CD2 4.09Å; A515-L522 HydrophobicContact CB-CG 3.88Å; A515-L528 HydrophobicContact CB-CD2 4.33Å
516	I	92.1	Very high	89.4	Confident	121 Å²	121	71.6 Å²	71.6	62%	0.621	38%	0.376	S	S	*	.	H	α-helix	trans	-61.9	-49.1	174.1	-66.6	165.5	0	0	0	110.3	T512 F514 K518 N519	T512-I516 HydrophobicContact CG2-CD1 3.97Å; T512-I516 VanDerWaalsContact O-CG1 3.29Å; T512-I516 WeakPolarHBondContact O-CG1 3.42Å; T512-I516 PolarHBondContact O-N 3.34Å; F514-I516 VanDerWaalsContact C-N 3.31Å; F514-I516 PolarHBondContact O-N 3.04Å; I516-K518 PolarHBondContact O-N 3.32Å; I516-N519 PolarHBondContact O-N 2.84Å
517	S	93.2	Very high	88.9	Confident	69 Å²	69	70 Å²	70	48%	0.483	37%	0.372	S	S	.	.	H	α-helix	trans	-64.5	-26.1	-176.8	77.1	0	0	0	0	113.7	E513 F514	E513-S517 PolarHBondContact O-N 2.62Å; F514-S517 PolarHBondContact O-N 3.16Å; F514-S517 PolarHBondContact O-OG 2.96Å
518	K	91.8	Very high	88.7	Confident	91 Å²	91	68.6 Å²	68.6	40%	0.396	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	5.7	178.3	-62.4	-63.5	-175	168.8	0	114.4	H186 F514 A515 I516 I520	H186-K518 PolarHBondContact CE1-O 3.09Å; F514-K518 HydrophobicContact CD1-CG 4.08Å; F514-K518 HydrophobicContact CD2-CG 4.38Å; F514-K518 HydrophobicContact CE1-CB 4.43Å; F514-K518 HydrophobicContact CE1-CG 3.71Å; F514-K518 HydrophobicContact CE2-CG 4.02Å; F514-K518 HydrophobicContact CG-CG 4.44Å; F514-K518 HydrophobicContact CZ-CD 4.37Å; F514-K518 HydrophobicContact CZ-CG 3.69Å; F514-K518 WeakPolarHBondContact O-CB 3.24Å; F514-K518 PolarHBondContact O-N 2.59Å; A515-K518 PolarHBondContact O-N 3.49Å; I516-K518 PolarHBondContact O-N 3.32Å; K518-I520 VanDerWaalsContact C-N 3.27Å; K518-I520 HydrophobicContact CB-CD1 3.86Å; K518-I520 HydrophobicContact CB-CG1 3.91Å; K518-I520 PolarHBondContact O-N 3.34Å
519	N	89.9	Confident	88.4	Confident	145 Å²	145	71.9 Å²	71.9	78%	0.775	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	41.6	-175.6	-61	-58.3	0	0	0	113.2	A515 I516	A515-N519 PolarHBondContact O-N 3.45Å; I516-N519 PolarHBondContact O-N 2.84Å
520	I	90.5	Very high	88.3	Confident	17 Å²	17	67.9 Å²	67.9	9%	0.087	36%	0.361	C	S	.	.			trans	-86.6	124.3	176.9	-64.3	170.6	0	0	0	109.1	Y185 F514 A515 K518 L522 L528	Y185-I520 HydrophobicContact CD1-CG2 3.72Å; Y185-I520 HydrophobicContact CE1-CG2 4.47Å; Y185-I520 HydrophobicContact CG-CG2 3.8Å; F514-I520 HydrophobicContact CD1-CD1 4.33Å; F514-I520 HydrophobicContact CE1-CD1 4.14Å; A515-I520 HydrophobicContact CB-CB 4.14Å; A515-I520 PolarHBondContact O-N 3.05Å; K518-I520 VanDerWaalsContact C-N 3.27Å; K518-I520 HydrophobicContact CB-CD1 3.86Å; K518-I520 HydrophobicContact CB-CG1 3.91Å; K518-I520 PolarHBondContact O-N 3.34Å; I520-L522 HydrophobicContact CG2-CD2 4.3Å; I520-L522 PolarHBondContact O-N 3.21Å; I520-L528 HydrophobicContact CD1-CD2 4.1Å; I520-L528 HydrophobicContact CG2-CD2 4.19Å
521	Q	86	Confident	88.2	Confident	184 Å²	184	66.8 Å²	66.8	86%	0.86	36%	0.356	S	S	*	.			trans	-81.5	113.9	173.7	-62.3	-172.3	12.5	0	0	110
522	L	80.7	Confident	88.2	Confident	33 Å²	33	67.7 Å²	67.7	17%	0.173	36%	0.363	C	S	.	.			trans	-84.5	-16.5	-177	-69.5	173.9	0	0	0	113.9	Y185 A515 I520 D524 E525 L528	Y185-L522 HydrophobicContact CE1-CD2 4.35Å; A515-L522 HydrophobicContact CB-CD1 3.67Å; A515-L522 HydrophobicContact CB-CD2 4.09Å; A515-L522 HydrophobicContact CB-CG 3.88Å; I520-L522 HydrophobicContact CG2-CD2 4.3Å; I520-L522 PolarHBondContact O-N 3.21Å; L522-D524 PolarHBondContact O-N 3.39Å; L522-E525 VanDerWaalsContact O-CB 3.32Å; L522-E525 WeakPolarHBondContact O-CB 3.5Å; L522-E525 WeakPolarHBondContact O-CG 3.36Å; L522-E525 PolarHBondContact O-N 3.46Å; L522-L528 HydrophobicContact CD2-CD2 3.88Å; L522-L528 HydrophobicContact CD2-CG 4.33Å
523	G	81	Confident	88.3	Confident	72 Å²	72	65.3 Å²	65.3	74%	0.742	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	-133.9	-172.4	0	0	0	0	0	111.2	E525	G523-E525 PolarHBondContact O-N 2.89Å
524	D	75.4	Confident	88.4	Confident	175 Å²	175	62.7 Å²	62.7	94%	0.936	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	0.6	178.5	-60.8	-34.2	0	0	0	113.8	L522	L522-D524 PolarHBondContact O-N 3.39Å
525	E	80.3	Confident	88.3	Confident	86 Å²	86	65.3 Å²	65.3	40%	0.402	35%	0.349	S	S	.	.			trans	-78.1	133.8	-176.9	-58.5	-66.6	170.4	0	0	111.6	L522 G523 G527 K529	L522-E525 VanDerWaalsContact O-CB 3.32Å; L522-E525 WeakPolarHBondContact O-CB 3.5Å; L522-E525 WeakPolarHBondContact O-CG 3.36Å; L522-E525 PolarHBondContact O-N 3.46Å; G523-E525 PolarHBondContact O-N 2.89Å; E525-G527 PolarHBondContact O-N 2.67Å; E525-K529 VanDerWaalsContact OE1-CE 3.32Å; E525-K529 WeakPolarHBondContact OE1-CE 3.39Å; E525-K529 IonicContact OE1-NZ 2.72Å; E525-K529 PolarHBondContact OE1-NZ 3Å; E525-K529 WeakPolarHBondContact OE2-CE 3.5Å; E525-K529 IonicContact OE2-NZ 3.77Å; E525-K529 PolarHBondContact OE2-NZ 3.08Å
526	K	74.3	Confident	88.3	Confident	116 Å²	116	66 Å²	66	50%	0.504	35%	0.351	S	S	.	.	S	Bend	trans	-65.3	-7	174.4	-65.2	-171.7	-179.6	-175.2	0	113.5	E252	E252-K526 IonicContact OE1-NZ 3.64Å; E252-K526 PolarHBondContact OE1-NZ 3.14Å; E252-K526 IonicContact OE2-NZ 2.67Å; E252-K526 PolarHBondContact OE2-NZ 3.14Å
527	G	85.8	Confident	88.3	Confident	12 Å²	12	62.4 Å²	62.4	12%	0.124	34%	0.34	C	S	.	.	S	Bend	trans	171.1	177.8	-178.6	0	0	0	0	0	113	S511 E525	S511-G527 WeakPolarHBondContact OG-CA 3.46Å; E525-G527 PolarHBondContact O-N 2.67Å
528	L	89.4	Confident	88.2	Confident	11 Å²	11	61.2 Å²	61.2	6%	0.058	33%	0.327	C	S	.	.			trans	-57.2	134.5	168.9	-58.9	169.1	0	0	0	110.8	F178 V181 Y185 S511 F514 A515 I520 L522 F530	F178-L528 HydrophobicContact CD1-CD1 4.4Å; V181-L528 HydrophobicContact CG1-CB 3.97Å; V181-L528 HydrophobicContact CG1-CD2 4.27Å; Y185-L528 HydrophobicContact CD2-CD2 3.99Å; Y185-L528 HydrophobicContact CE2-CD2 3.85Å; S511-L528 WeakPolarHBondContact OG-CA 3.18Å; S511-L528 WeakPolarHBondContact OG-CB 3.35Å; S511-L528 VanDerWaalsContact OG-CG 3.23Å; S511-L528 WeakPolarHBondContact OG-CG 3.4Å; S511-L528 PolarHBondContact OG-N 3.49Å; F514-L528 HydrophobicContact CB-CD1 4.21Å; F514-L528 HydrophobicContact CD1-CD1 3.61Å; F514-L528 HydrophobicContact CE1-CD1 4.4Å; F514-L528 HydrophobicContact CG-CD1 4.28Å; A515-L528 HydrophobicContact CB-CD2 4.33Å; I520-L528 HydrophobicContact CD1-CD2 4.1Å; I520-L528 HydrophobicContact CG2-CD2 4.19Å; L522-L528 HydrophobicContact CD2-CD2 3.88Å; L522-L528 HydrophobicContact CD2-CG 4.33Å; L528-F530 HydrophobicContact CB-CD2 4.49Å; L528-F530 HydrophobicContact CB-CE2 3.97Å; L528-F530 HydrophobicContact CB-CZ 4.37Å; L528-F530 HydrophobicContact CD1-CZ 4.27Å; L528-F530 WeakPolarHBondContact O-CD2 3.45Å; L528-F530 PolarHBondContact O-N 3.08Å
529	K	89.4	Confident	88.2	Confident	106 Å²	106	56.9 Å²	56.9	46%	0.461	31%	0.309	S	S	.	.			trans	-88.5	96.3	175	-69.5	-174.4	176.6	169.1	0	111.6	Y185 E525	Y185-K529 PolarHBondContact OH-N 3.35Å; Y185-K529 VanDerWaalsContact OH-N 3.14Å; E525-K529 VanDerWaalsContact OE1-CE 3.32Å; E525-K529 WeakPolarHBondContact OE1-CE 3.39Å; E525-K529 IonicContact OE1-NZ 2.72Å; E525-K529 PolarHBondContact OE1-NZ 3Å; E525-K529 WeakPolarHBondContact OE2-CE 3.5Å; E525-K529 IonicContact OE2-NZ 3.77Å; E525-K529 PolarHBondContact OE2-NZ 3.08Å
530	F	92.6	Very high	88.2	Confident	20 Å²	20	50.1 Å²	50.1	9%	0.088	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-71.5	144.3	170.8	-64.9	-87.5	0	0	0	111.6	A177 F178 V181 L500 F501 L528 S532	A177-F530 HydrophobicContact CB-CD1 3.92Å; A177-F530 HydrophobicContact CB-CE1 3.94Å; F178-F530 HydrophobicContact CD1-CE1 4.32Å; F178-F530 AromaticContact CD1-CZ 3.94Å; F178-F530 HydrophobicContact CD1-CZ 3.94Å; F178-F530 HydrophobicContact CD2-CE1 4.33Å; F178-F530 HydrophobicContact CE1-CE1 4.43Å; F178-F530 AromaticContact CE1-CZ 3.72Å; F178-F530 HydrophobicContact CE1-CZ 3.72Å; F178-F530 HydrophobicContact CE2-CE1 4.4Å; F178-F530 HydrophobicContact CE2-CZ 4.29Å; F178-F530 HydrophobicContact CG-CE1 4.3Å; F178-F530 HydrophobicContact CG-CZ 4.35Å; F178-F530 HydrophobicContact CZ-CE1 4.47Å; F178-F530 AromaticContact CZ-CZ 3.91Å; F178-F530 HydrophobicContact CZ-CZ 3.91Å; V181-F530 HydrophobicContact CG2-CD1 3.78Å; V181-F530 HydrophobicContact CG2-CE1 4.2Å; V181-F530 HydrophobicContact CG2-CG 4.34Å; L500-F530 HydrophobicContact CD2-CD1 4.46Å; L500-F530 HydrophobicContact CD2-CE1 4.4Å; F501-F530 HydrophobicContact CE2-CD2 4.16Å; F501-F530 HydrophobicContact CE2-CE2 4.23Å; F501-F530 HydrophobicContact CE2-CG 4.46Å; F501-F530 HydrophobicContact CZ-CD2 4.16Å; F501-F530 HydrophobicContact CZ-CE1 4.33Å; F501-F530 AromaticContact CZ-CE2 3.75Å; F501-F530 HydrophobicContact CZ-CE2 3.75Å; F501-F530 AromaticContact CZ-CZ 3.85Å; F501-F530 HydrophobicContact CZ-CZ 3.85Å; L528-F530 HydrophobicContact CB-CD2 4.49Å; L528-F530 HydrophobicContact CB-CE2 3.97Å; L528-F530 HydrophobicContact CB-CZ 4.37Å; L528-F530 HydrophobicContact CD1-CZ 4.27Å; L528-F530 WeakPolarHBondContact O-CD2 3.45Å; L528-F530 PolarHBondContact O-N 3.08Å; F530-S532 PolarHBondContact O-N 3.37Å
531	P	92.8	Very high	88.2	Confident	4 Å²	4	52 Å²	52	3%	0.026	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-51	136.4	168.4	-27.5	36.5	0	0	0	112.3	Y180 W203 L495 F496 G497 L538	Y180-P531 HydrophobicContact CD1-CG 4.22Å; Y180-P531 HydrophobicContact CE1-CG 3.82Å; W203-P531 VanDerWaalsContact CH2-CA 3.48Å; W203-P531 HydrophobicContact CH2-CB 4.29Å; W203-P531 HydrophobicContact CH2-CG 4.32Å; L495-P531 HydrophobicContact CG-CG 4.48Å; F496-P531 CarbonylContact C-O 3.57Å; F496-P531 VanDerWaalsContact CA-O 3.25Å; F496-P531 WeakPolarHBondContact CA-O 3.49Å; F496-P531 HydrophobicContact CD1-CB 3.85Å; F496-P531 HydrophobicContact CE1-CB 4.18Å; G497-P531 PolarHBondContact N-O 3.49Å; P531-L538 HydrophobicContact CB-CD2 3.94Å; P531-L538 HydrophobicContact CG-CD2 4.31Å
532	S	93.5	Very high	88.3	Confident	22 Å²	22	46.5 Å²	46.5	15%	0.154	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-85.5	139.8	169.5	-175.9	0	0	0	0	109.1	F496 T498 F530 W534 D535	F496-S532 WeakPolarHBondContact CD1-O 3.21Å; T498-S532 PolarHBondContact OG1-OG 3.01Å; F530-S532 PolarHBondContact O-N 3.37Å; S532-W534 PolarHBondContact O-N 2.98Å; S532-W534 PolarHBondContact OG-N 2.88Å; S532-D535 PolarHBondContact O-N 3.2Å; S532-D535 VanDerWaalsContact O-N 3.1Å
533	V	95.3	Very high	88.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.2	174.1	74.1	0	0	0	0	112.1	S490 F496 T498 F499 D535 W536 Q539	S490-V533 VanDerWaalsContact CB-CG2 3.4Å; F496-V533 HydrophobicContact CB-CB 4.07Å; F496-V533 HydrophobicContact CD1-CB 4.28Å; F496-V533 HydrophobicContact CD2-CB 4.48Å; F496-V533 HydrophobicContact CD2-CG2 4.25Å; F496-V533 HydrophobicContact CG-CB 4.03Å; F496-V533 HydrophobicContact CG-CG2 4.29Å; T498-V533 HydrophobicContact CG2-CG1 3.68Å; T498-V533 PolarHBondContact OG1-N 3.4Å; T498-V533 VanDerWaalsContact OG1-N 3.09Å; F499-V533 HydrophobicContact CD2-CG1 4.5Å; F499-V533 HydrophobicContact CE2-CB 4.24Å; F499-V533 HydrophobicContact CE2-CG1 3.82Å; F499-V533 HydrophobicContact CE2-CG2 4.07Å; F499-V533 HydrophobicContact CZ-CG1 4.02Å; V533-D535 PolarHBondContact O-N 3.17Å; V533-W536 HydrophobicContact CG2-CH2 4.11Å; V533-W536 HydrophobicContact CG2-CZ3 4.32Å; V533-Q539 PolarHBondContact O-NE2 3.33Å
534	W	95.4	Very high	88.9	Confident	22 Å²	22	48 Å²	48	8%	0.083	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-14.6	178.3	-45.5	133.7	0	0	0	113.2	T214 Q428 I431 Q432 L487 T498 F499 S532 W536	T214-W534 HydrophobicContact CG2-CD2 4.47Å; T214-W534 HydrophobicContact CG2-CG 4.06Å; Q428-W534 HydrophobicContact CB-CD2 3.85Å; Q428-W534 HydrophobicContact CB-CE3 3.78Å; Q428-W534 HydrophobicContact CB-CG 4.5Å; Q428-W534 HydrophobicContact CB-CH2 4.13Å; Q428-W534 HydrophobicContact CB-CZ2 4.2Å; Q428-W534 HydrophobicContact CB-CZ3 3.93Å; Q428-W534 HydrophobicContact CG-CD2 3.93Å; Q428-W534 HydrophobicContact CG-CE3 3.36Å; Q428-W534 HydrophobicContact CG-CH2 4.2Å; Q428-W534 HydrophobicContact CG-CZ3 3.53Å; Q428-W534 WeakPolarHBondContact O-CZ2 3.42Å; I431-W534 HydrophobicContact CB-CH2 3.98Å; I431-W534 HydrophobicContact CB-CZ2 4.13Å; I431-W534 HydrophobicContact CD1-CH2 4.25Å; I431-W534 HydrophobicContact CG2-CH2 3.89Å; I431-W534 HydrophobicContact CG2-CZ2 3.99Å; Q432-W534 HydrophobicContact CB-CZ2 4.47Å; L487-W534 HydrophobicContact CD1-CH2 4.08Å; L487-W534 HydrophobicContact CD1-CZ3 3.67Å; T498-W534 HydrophobicContact CG2-CZ2 4.06Å; F499-W534 HydrophobicContact CZ-CH2 4.25Å; S532-W534 PolarHBondContact O-N 2.98Å; S532-W534 PolarHBondContact OG-N 2.88Å; W534-W536 HydrophobicContact CE3-CZ2 4.13Å; W534-W536 HydrophobicContact CZ3-CZ2 4.26Å; W534-W536 VanDerWaalsContact O-CD1 3.31Å; W534-W536 PolarHBondContact O-N 3.43Å
535	D	92.6	Very high	89.6	Confident	63 Å²	63	44 Å²	44	34%	0.337	23%	0.227	S	C	.	.			trans	-78.2	70.5	168.4	-171.1	6.2	0	0	0	110.4	S532 V533 A537 L538	S532-D535 PolarHBondContact O-N 3.2Å; S532-D535 VanDerWaalsContact O-N 3.1Å; V533-D535 PolarHBondContact O-N 3.17Å; D535-A537 PolarHBondContact O-N 3.28Å; D535-A537 VanDerWaalsContact O-N 3.1Å; D535-L538 WeakPolarHBondContact O-CB 3.32Å; D535-L538 PolarHBondContact O-N 2.95Å
536	W	92.4	Very high	90.1	Very high	17 Å²	17	40.9 Å²	40.9	6%	0.064	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-61.7	-19.5	-178.4	-64.2	113.5	0	0	0	113.3	Y483 V486 L487 V533 W534 L538 Q539 F540 R545 F548	Y483-W536 HydrophobicContact CD2-CZ2 4.42Å; Y483-W536 AromaticContact CE2-CE2 3.87Å; Y483-W536 HydrophobicContact CE2-CH2 4.45Å; Y483-W536 AromaticContact CE2-CZ2 3.59Å; Y483-W536 HydrophobicContact CE2-CZ2 3.59Å; Y483-W536 AromaticContact CE2-NE1 3.94Å; V486-W536 HydrophobicContact CG1-CH2 4.31Å; V486-W536 HydrophobicContact CG1-CZ3 3.75Å; L487-W536 HydrophobicContact CD1-CH2 3.96Å; L487-W536 HydrophobicContact CD1-CZ2 4.16Å; V533-W536 HydrophobicContact CG2-CH2 4.11Å; V533-W536 HydrophobicContact CG2-CZ3 4.32Å; W534-W536 HydrophobicContact CE3-CZ2 4.13Å; W534-W536 HydrophobicContact CZ3-CZ2 4.26Å; W534-W536 VanDerWaalsContact O-CD1 3.31Å; W534-W536 PolarHBondContact O-N 3.43Å; W536-L538 PolarHBondContact O-N 3.08Å; W536-Q539 VanDerWaalsContact CE3-NE2 3.3Å; W536-Q539 VanDerWaalsContact CZ3-NE2 3.26Å; W536-Q539 PolarHBondContact O-N 3.04Å; W536-Q539 VanDerWaalsContact O-N 3.11Å; W536-F540 HydrophobicContact CE3-CD2 4.03Å; W536-F540 AromaticContact CE3-CE2 3.86Å; W536-F540 HydrophobicContact CE3-CE2 3.86Å; W536-F540 HydrophobicContact CZ3-CE2 4.08Å; W536-F540 PolarHBondContact O-N 2.69Å; W536-R545 HydrophobicContact CB-CG 4.17Å; W536-F548 HydrophobicContact CB-CE2 4.07Å; W536-F548 HydrophobicContact CD2-CD2 4.49Å; W536-F548 AromaticContact CD2-CE2 3.58Å; W536-F548 HydrophobicContact CD2-CE2 3.58Å; W536-F548 HydrophobicContact CD2-CZ 4.26Å; W536-F548 AromaticContact CE3-CE2 3.79Å; W536-F548 HydrophobicContact CE3-CE2 3.79Å; W536-F548 AromaticContact CE3-CZ 3.98Å; W536-F548 HydrophobicContact CE3-CZ 3.98Å; W536-F548 HydrophobicContact CG-CD2 4.43Å; W536-F548 AromaticContact CG-CE2 3.72Å; W536-F548 HydrophobicContact CG-CE2 3.72Å; W536-F548 HydrophobicContact CZ3-CE2 4.45Å; W536-F548 HydrophobicContact CZ3-CZ 4.37Å
537	A	91.9	Very high	90.8	Very high	46 Å²	46	35.4 Å²	35.4	38%	0.38	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-65.4	-25.4	174.9	0	0	0	0	0	112.3	D535 Q539	D535-A537 PolarHBondContact O-N 3.28Å; D535-A537 VanDerWaalsContact O-N 3.1Å; A537-Q539 VanDerWaalsContact C-N 3.26Å
538	L	90.8	Very high	91.1	Very high	43 Å²	43	35.1 Å²	35.1	23%	0.225	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-71.4	-25.6	174.7	-169.7	63.2	0	0	0	112.1	L94 L495 F496 P531 D535 W536	L94-L538 HydrophobicContact CD2-CG 4.21Å; L495-L538 HydrophobicContact CD2-CD2 4.18Å; F496-L538 HydrophobicContact CE1-CD2 3.91Å; F496-L538 HydrophobicContact CZ-CD2 4.46Å; P531-L538 HydrophobicContact CB-CD2 3.94Å; P531-L538 HydrophobicContact CG-CD2 4.31Å; D535-L538 WeakPolarHBondContact O-CB 3.32Å; D535-L538 PolarHBondContact O-N 2.95Å; W536-L538 PolarHBondContact O-N 3.08Å
539	Q	91.4	Very high	91.3	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-32	-175.3	-64.1	-175.7	80.7	0	0	112.8	N92 L93 L94 S490 F496 V533 W536 A537	N92-Q539 CarbonylContact C-O 3.52Å; N92-Q539 WeakPolarHBondContact CA-O 3.3Å; L93-Q539 PolarHBondContact N-O 2.9Å; L94-Q539 HydrophobicContact CD1-CG 3.95Å; S490-Q539 PolarHBondContact OG-OE1 3.1Å; F496-Q539 HydrophobicContact CE1-CG 4.24Å; F496-Q539 HydrophobicContact CE2-CG 4.04Å; F496-Q539 HydrophobicContact CZ-CG 3.37Å; V533-Q539 PolarHBondContact O-NE2 3.33Å; W536-Q539 VanDerWaalsContact CE3-NE2 3.3Å; W536-Q539 VanDerWaalsContact CZ3-NE2 3.26Å; W536-Q539 PolarHBondContact O-N 3.04Å; W536-Q539 VanDerWaalsContact O-N 3.11Å; A537-Q539 VanDerWaalsContact C-N 3.26Å
540	F	91.4	Very high	91.4	Very high	3 Å²	3	33 Å²	33	1%	0.013	18%	0.178	C	C	.	.	S	Bend	trans	-143.6	150.2	-167.7	-56.9	-63.8	0	0	0	112.7	Y90 N92 V486 W536 D544 R545 F548	Y90-F540 HydrophobicContact CD2-CD1 4.16Å; Y90-F540 HydrophobicContact CD2-CE1 4.25Å; Y90-F540 HydrophobicContact CE1-CE1 4.09Å; Y90-F540 AromaticContact CE2-CD1 3.44Å; Y90-F540 HydrophobicContact CE2-CD1 3.44Å; Y90-F540 VanDerWaalsContact CE2-CD1 3.44Å; Y90-F540 AromaticContact CE2-CE1 3.21Å; Y90-F540 HydrophobicContact CE2-CE1 3.21Å; Y90-F540 HydrophobicContact CE2-CE2 4.47Å; Y90-F540 HydrophobicContact CE2-CG 4.22Å; Y90-F540 AromaticContact CE2-CZ 3.79Å; Y90-F540 HydrophobicContact CE2-CZ 3.79Å; Y90-F540 AromaticContact CZ-CD1 3.87Å; Y90-F540 AromaticContact CZ-CE1 3.13Å; Y90-F540 AromaticContact CZ-CZ 3.59Å; Y90-F540 WeakPolarHBondContact OH-CE1 3.35Å; Y90-F540 WeakPolarHBondContact OH-CZ 3.39Å; N92-F540 HydrophobicContact CB-CE1 3.87Å; N92-F540 WeakPolarHBondContact ND2-CZ 3.32Å; V486-F540 HydrophobicContact CG1-CE2 3.42Å; V486-F540 VanDerWaalsContact CG1-CE2 3.42Å; V486-F540 HydrophobicContact CG1-CZ 3.57Å; W536-F540 HydrophobicContact CE3-CD2 4.03Å; W536-F540 AromaticContact CE3-CE2 3.86Å; W536-F540 HydrophobicContact CE3-CE2 3.86Å; W536-F540 HydrophobicContact CZ3-CE2 4.08Å; W536-F540 PolarHBondContact O-N 2.69Å; F540-D544 HydrophobicContact CB-CB 4.14Å; F540-R545 HydrophobicContact CB-CG 3.81Å; F540-F548 HydrophobicContact CD2-CE2 4.26Å; F540-F548 AromaticContact CD2-CZ 3.59Å; F540-F548 HydrophobicContact CD2-CZ 3.59Å; F540-F548 AromaticContact CE2-CZ 3.84Å; F540-F548 HydrophobicContact CE2-CZ 3.84Å; F540-F548 HydrophobicContact CG-CZ 4.39Å
541	T	89.7	Confident	91.3	Very high	57 Å²	57	32.9 Å²	32.9	35%	0.35	18%	0.179	S	C	.	.			trans	-65.3	161.4	173.6	70.9	0	0	0	0	111.3	L93 K543 D544 R545	L93-T541 HydrophobicContact CD2-CG2 4.1Å; T541-K543 PolarHBondContact O-N 2.95Å; T541-D544 PolarHBondContact O-N 3.12Å; T541-D544 PolarHBondContact OG1-N 3.31Å; T541-D544 VanDerWaalsContact OG1-N 3.14Å; T541-D544 PolarHBondContact OG1-OD2 2.86Å; T541-R545 WeakPolarHBondContact O-CG 3.39Å; T541-R545 PolarHBondContact O-N 2.83Å
542	A	87.9	Confident	91.1	Very high	67 Å²	67	36.6 Å²	36.6	55%	0.554	20%	0.195	S	C	*	.	H	α-helix	trans	-56.6	-38.4	174.9	0	0	0	0	0	112.5
543	K	86.2	Confident	91	Very high	126 Å²	126	38.5 Å²	38.5	55%	0.548	20%	0.199	S	C	.	.	H	α-helix	trans	-63.6	-50.9	176	-175.2	179.4	177.3	-178.8	0	111.3	T541 R545 T546 Y713	T541-K543 PolarHBondContact O-N 2.95Å; K543-R545 VanDerWaalsContact C-N 3.29Å; K543-R545 PolarHBondContact O-N 3.36Å; K543-T546 WeakPolarHBondContact O-CB 3.44Å; K543-T546 PolarHBondContact O-N 3.41Å; K543-T546 PolarHBondContact O-OG1 2.87Å; K543-Y713 HydrophobicContact CD-CE2 4.4Å; K543-Y713 HydrophobicContact CG-CD2 4.16Å; K543-Y713 HydrophobicContact CG-CE2 3.9Å; K543-Y713 WeakPolarHBondContact O-CD2 3.32Å
544	D	88.6	Confident	90.6	Very high	10 Å²	10	42.9 Å²	42.9	5%	0.053	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-33.3	-176.8	-61.3	-34.9	0	0	0	112.6	H89 Y90 F540 T541 T546 L547	H89-D544 VanDerWaalsContact O-OD1 3.12Å; Y90-D544 HydrophobicContact CD2-CB 4.34Å; F540-D544 HydrophobicContact CB-CB 4.14Å; T541-D544 PolarHBondContact O-N 3.12Å; T541-D544 PolarHBondContact OG1-N 3.31Å; T541-D544 VanDerWaalsContact OG1-N 3.14Å; T541-D544 PolarHBondContact OG1-OD2 2.86Å; D544-T546 PolarHBondContact O-N 3.49Å; D544-L547 VanDerWaalsContact O-CB 3.23Å; D544-L547 WeakPolarHBondContact O-CB 3.33Å; D544-L547 WeakPolarHBondContact O-CG 3.29Å; D544-L547 PolarHBondContact O-N 2.9Å
545	R	90.6	Very high	89.7	Confident	92 Å²	92	42.9 Å²	42.9	35%	0.347	23%	0.228	S	C	.	.	H	α-helix	trans	-61.3	-23.8	175	-70.2	-176.5	-59.7	169.4	3.6	113.2	W536 F540 T541 K543 L547 F548	W536-R545 HydrophobicContact CB-CG 4.17Å; F540-R545 HydrophobicContact CB-CG 3.81Å; T541-R545 WeakPolarHBondContact O-CG 3.39Å; T541-R545 PolarHBondContact O-N 2.83Å; K543-R545 VanDerWaalsContact C-N 3.29Å; K543-R545 PolarHBondContact O-N 3.36Å; R545-L547 PolarHBondContact O-N 3.27Å; R545-F548 HydrophobicContact CG-CE2 4.33Å; R545-F548 VanDerWaalsContact O-CB 3.3Å; R545-F548 WeakPolarHBondContact O-CB 3.48Å; R545-F548 WeakPolarHBondContact O-CG 3.22Å; R545-F548 PolarHBondContact O-N 3.36Å; R545-F548 VanDerWaalsContact O-N 3.08Å
546	T	89.7	Confident	88.5	Confident	21 Å²	21	48.1 Å²	48.1	13%	0.129	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-65.3	-22.3	174.2	67.5	0	0	0	0	112.6	K543 D544 F548 H549 Y713	K543-T546 WeakPolarHBondContact O-CB 3.44Å; K543-T546 PolarHBondContact O-N 3.41Å; K543-T546 PolarHBondContact O-OG1 2.87Å; D544-T546 PolarHBondContact O-N 3.49Å; T546-F548 PolarHBondContact O-N 3.2Å; T546-H549 PolarHBondContact O-N 2.83Å; T546-H549 VanDerWaalsContact O-N 3.09Å; T546-Y713 WeakPolarHBondContact OG1-CA 3.36Å; T546-Y713 WeakPolarHBondContact OG1-CB 3.4Å; T546-Y713 WeakPolarHBondContact OG1-CD2 3.36Å; T546-Y713 PolarHBondContact OG1-N 3.35Å
547	L	89.6	Confident	86.4	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-65.1	-17.7	173.2	-65.9	166.9	0	0	0	112.8	Y90 S480 T482 D544 R545 H549 Y713 F733 P734	Y90-L547 HydrophobicContact CD2-CD1 4.23Å; S480-L547 WeakPolarHBondContact CB-O 3.47Å; S480-L547 PolarHBondContact OG-O 2.8Å; T482-L547 HydrophobicContact CG2-CB 4.25Å; D544-L547 VanDerWaalsContact O-CB 3.23Å; D544-L547 WeakPolarHBondContact O-CB 3.33Å; D544-L547 WeakPolarHBondContact O-CG 3.29Å; D544-L547 PolarHBondContact O-N 2.9Å; R545-L547 PolarHBondContact O-N 3.27Å; L547-H549 PolarHBondContact O-N 2.87Å; L547-Y713 HydrophobicContact CD1-CD2 3.97Å; L547-Y713 HydrophobicContact CD1-CE2 3.82Å; L547-Y713 HydrophobicContact CD2-CD1 4Å; L547-Y713 HydrophobicContact CD2-CD2 3.53Å; L547-Y713 HydrophobicContact CD2-CE2 4.05Å; L547-Y713 HydrophobicContact CD2-CG 3.48Å; L547-Y713 VanDerWaalsContact CD2-CG 3.48Å; L547-Y713 HydrophobicContact CG-CD2 3.41Å; L547-Y713 VanDerWaalsContact CG-CD2 3.41Å; L547-Y713 HydrophobicContact CG-CE2 3.82Å; L547-Y713 HydrophobicContact CG-CG 3.92Å; L547-F733 HydrophobicContact CD2-CE1 3.64Å; L547-F733 HydrophobicContact CD2-CZ 3.65Å; L547-P734 HydrophobicContact CD1-CB 3.63Å; L547-P734 HydrophobicContact CD1-CG 4.04Å; L547-P734 HydrophobicContact CD2-CB 4.27Å
548	F	92.9	Very high	83.7	Confident	6 Å²	6	56 Å²	56	3%	0.026	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-72.5	-20	175.9	-61.5	-12.4	0	0	0	112	I424 F479 S480 Y483 V486 W536 F540 R545 T546	I424-F548 HydrophobicContact CD1-CB 4.31Å; F479-F548 CarbonylContact C-O 3.53Å; F479-F548 WeakPolarHBondContact CA-O 3.36Å; S480-F548 PolarHBondContact N-O 3.32Å; S480-F548 PolarHBondContact OG-O 3.28Å; Y483-F548 HydrophobicContact CD2-CB 3.86Å; Y483-F548 HydrophobicContact CD2-CD1 4.15Å; Y483-F548 AromaticContact CD2-CD2 3.76Å; Y483-F548 HydrophobicContact CD2-CD2 3.76Å; Y483-F548 HydrophobicContact CD2-CE2 4.29Å; Y483-F548 AromaticContact CD2-CG 3.67Å; Y483-F548 HydrophobicContact CD2-CG 3.67Å; Y483-F548 HydrophobicContact CE2-CD2 4.28Å; Y483-F548 HydrophobicContact CG-CB 4.31Å; Y483-F548 HydrophobicContact CG-CG 4.42Å; V486-F548 HydrophobicContact CB-CE1 4.2Å; V486-F548 HydrophobicContact CB-CZ 4.48Å; V486-F548 HydrophobicContact CG1-CE1 4.19Å; V486-F548 HydrophobicContact CG1-CZ 4.01Å; V486-F548 HydrophobicContact CG2-CE1 4.05Å; W536-F548 HydrophobicContact CB-CE2 4.07Å; W536-F548 HydrophobicContact CD2-CD2 4.49Å; W536-F548 AromaticContact CD2-CE2 3.58Å; W536-F548 HydrophobicContact CD2-CE2 3.58Å; W536-F548 HydrophobicContact CD2-CZ 4.26Å; W536-F548 AromaticContact CE3-CE2 3.79Å; W536-F548 HydrophobicContact CE3-CE2 3.79Å; W536-F548 AromaticContact CE3-CZ 3.98Å; W536-F548 HydrophobicContact CE3-CZ 3.98Å; W536-F548 HydrophobicContact CG-CD2 4.43Å; W536-F548 AromaticContact CG-CE2 3.72Å; W536-F548 HydrophobicContact CG-CE2 3.72Å; W536-F548 HydrophobicContact CZ3-CE2 4.45Å; W536-F548 HydrophobicContact CZ3-CZ 4.37Å; F540-F548 HydrophobicContact CD2-CE2 4.26Å; F540-F548 AromaticContact CD2-CZ 3.59Å; F540-F548 HydrophobicContact CD2-CZ 3.59Å; F540-F548 AromaticContact CE2-CZ 3.84Å; F540-F548 HydrophobicContact CE2-CZ 3.84Å; F540-F548 HydrophobicContact CG-CZ 4.39Å; R545-F548 HydrophobicContact CG-CE2 4.33Å; R545-F548 VanDerWaalsContact O-CB 3.3Å; R545-F548 WeakPolarHBondContact O-CB 3.48Å; R545-F548 WeakPolarHBondContact O-CG 3.22Å; R545-F548 PolarHBondContact O-N 3.36Å; R545-F548 VanDerWaalsContact O-N 3.08Å; T546-F548 PolarHBondContact O-N 3.2Å
549	H	92.4	Very high	80.8	Confident	58 Å²	58	59.3 Å²	59.3	27%	0.269	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-85.3	135.8	178.1	-68.5	-85.1	0	0	0	111.1	I424 E478 T546 L547	I424-H549 WeakPolarHBondContact CD1-CE1 3.42Å; E478-H549 IonicContact OE1-CE1 2.59Å; E478-H549 IonicContact OE1-ND1 2.97Å; T546-H549 PolarHBondContact O-N 2.83Å; T546-H549 VanDerWaalsContact O-N 3.09Å; L547-H549 PolarHBondContact O-N 2.87Å
550	N	92.3	Very high	77.9	Confident	15 Å²	15	64.5 Å²	64.5	8%	0.08	35%	0.352	C	S	.	.			trans	-88.3	117	175.1	177.1	9.3	0	0	0	110.1	P474 F477 E478 F552 Y553	P474-N550 PolarHBondContact O-ND2 2.84Å; F477-N550 WeakPolarHBondContact O-CB 3.23Å; F477-N550 PolarHBondContact O-ND2 3.26Å; E478-N550 WeakPolarHBondContact O-CB 3.46Å; E478-N550 PolarHBondContact O-N 3.13Å; N550-F552 PolarHBondContact O-N 3.1Å; N550-F552 WeakPolarHBondContact OD1-CB 3.39Å; N550-F552 VanDerWaalsContact OD1-CD2 3.25Å; N550-F552 WeakPolarHBondContact OD1-CD2 3.26Å; N550-F552 PolarHBondContact OD1-N 3.12Å; N550-Y553 VanDerWaalsContact O-CB 3.31Å; N550-Y553 WeakPolarHBondContact O-CB 3.47Å; N550-Y553 PolarHBondContact O-N 3.26Å; N550-Y553 VanDerWaalsContact O-N 3.08Å
551	P	89.7	Confident	75.1	Confident	17 Å²	17	68.4 Å²	68.4	11%	0.11	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-16.3	-180	28.9	-35.8	0	0	0	113.1	Y553 F675 A682 M712	P551-Y553 VanDerWaalsContact C-N 3.3Å; P551-F675 HydrophobicContact CG-CD2 3.79Å; P551-F675 HydrophobicContact CG-CE2 3.66Å; P551-F675 HydrophobicContact CG-CZ 4.36Å; P551-A682 HydrophobicContact CB-CB 4.3Å; P551-M712 HydrophobicContact CB-SD 4.14Å
552	F	88.9	Confident	72.5	Confident	82 Å²	82	74.8 Å²	74.8	36%	0.36	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-13.5	175.5	-64.1	-87.3	0	0	0	113.3	P474 A475 N550 I554 L678	P474-F552 HydrophobicContact CB-CB 4.22Å; P474-F552 HydrophobicContact CB-CG 4.34Å; A475-F552 VanDerWaalsContact CA-O 3.25Å; A475-F552 WeakPolarHBondContact CA-O 3.3Å; A475-F552 WeakPolarHBondContact CB-O 3.45Å; N550-F552 PolarHBondContact O-N 3.1Å; N550-F552 WeakPolarHBondContact OD1-CB 3.39Å; N550-F552 VanDerWaalsContact OD1-CD2 3.25Å; N550-F552 WeakPolarHBondContact OD1-CD2 3.26Å; N550-F552 PolarHBondContact OD1-N 3.12Å; F552-I554 PolarHBondContact O-N 3.34Å; F552-L678 HydrophobicContact CD1-CD1 3.98Å; F552-L678 HydrophobicContact CE1-CD1 3.09Å; F552-L678 HydrophobicContact CE1-CG 4.44Å; F552-L678 HydrophobicContact CE2-CD1 3.94Å; F552-L678 HydrophobicContact CZ-CD1 3.07Å
553	Y	91.4	Very high	70.2	Confident	61 Å²	61	78.6 Å²	78.6	24%	0.239	41%	0.413	C	S	.	.			trans	-62	120.4	-172	179.7	-124.3	0	0	0	111.8	F477 E478 N550 P551 G555	F477-Y553 WeakPolarHBondContact O-CB 3.38Å; F477-Y553 WeakPolarHBondContact O-CD2 3.35Å; E478-Y553 VanDerWaalsContact CA-CG 3.43Å; E478-Y553 HydrophobicContact CB-CD1 3.79Å; E478-Y553 HydrophobicContact CB-CD2 4.19Å; E478-Y553 HydrophobicContact CB-CE1 3.77Å; E478-Y553 HydrophobicContact CB-CE2 4.15Å; E478-Y553 HydrophobicContact CB-CG 4Å; E478-Y553 HydrophobicContact CG-CD1 3.81Å; E478-Y553 HydrophobicContact CG-CE1 3.9Å; E478-Y553 HydrophobicContact CG-CG 4.4Å; E478-Y553 VanDerWaalsContact N-CD2 3.29Å; N550-Y553 VanDerWaalsContact O-CB 3.31Å; N550-Y553 WeakPolarHBondContact O-CB 3.47Å; N550-Y553 PolarHBondContact O-N 3.26Å; N550-Y553 VanDerWaalsContact O-N 3.08Å; P551-Y553 VanDerWaalsContact C-N 3.3Å; Y553-G555 VanDerWaalsContact CE1-CA 3.45Å
554	I	86.9	Confident	67.7	Low	92 Å²	92	75.5 Å²	75.5	47%	0.472	42%	0.417	S	S	.	.			trans	-97.4	99.2	169.8	-59.8	174.8	0	0	0	105.5	A475 F552 L637 H638	A475-I554 HydrophobicContact CB-CD1 4.03Å; A475-I554 HydrophobicContact CB-CG1 4.13Å; A475-I554 PolarHBondContact O-N 3.17Å; F552-I554 PolarHBondContact O-N 3.34Å; I554-L637 HydrophobicContact CB-CD1 4.44Å; I554-L637 HydrophobicContact CD1-CD1 3.97Å; I554-H638 PolarHBondContact O-CE1 2.79Å
555	G	76.7	Confident	65.1	Low	22 Å²	22	80.4 Å²	80.4	23%	0.227	45%	0.452	C	S	.	.			trans	-69.6	161.5	173.9	0	0	0	0	0	111.9	Y553 S557	Y553-G555 VanDerWaalsContact CE1-CA 3.45Å; G555-S557 PolarHBondContact O-N 3.02Å; G555-S557 PolarHBondContact O-OG 2.79Å
556	R	68	Low	62.3	Low	174 Å²	174	87.5 Å²	87.5	66%	0.657	48%	0.479	S	S	*	.			trans	-66.1	87	168.3	-74.4	-170.3	-176.9	-161.4	-0.7	107.7	T558 H638	R556-T558 PolarHBondContact O-N 3.06Å; R556-H638 HydrophobicContact CG-CB 4.26Å; R556-H638 WeakPolarHBondContact CG-ND1 3.36Å; R556-H638 PolarHBondContact N-CE1 2.85Å; R556-H638 VanDerWaalsContact N-CE1 3.26Å; R556-H638 PolarHBondContact NH2-O 3.45Å
557	S	47.7	Very low	59.4	Low	101 Å²	101	94.6 Å²	94.6	71%	0.706	51%	0.508	S	S	*	.			trans	-61.9	132.5	174	-24.5	0	0	0	0	107.6	G555	G555-S557 PolarHBondContact O-N 3.02Å; G555-S557 PolarHBondContact O-OG 2.79Å
558	T	34.1	Very low	56.5	Low	127 Å²	127	99.4 Å²	99.4	78%	0.779	54%	0.541	S	S	*	.	S	Bend	trans	-40.9	133.4	156.2	-35.1	0	0	0	0	107.2	R556 C560	R556-T558 PolarHBondContact O-N 3.06Å; T558-C560 PolarHBondContact O-N 2.85Å
559	P	30.1	Very low	53.5	Low	113 Å²	113	108.6 Å²	108.6	73%	0.734	58%	0.582	S	S	*	*			trans	-43.5	118.9	-169.5	14.6	-30.6	0	0	0	109.7	V561	P559-V561 PolarHBondContact O-N 3.48Å
560	C	31	Very low	50.5	Low	110 Å²	110	114.3 Å²	114.3	74%	0.743	61%	0.606	S	S	*	*			trans	-45.7	119.2	165.2	169.6	0	0	0	0	105.7	T558 Q562	T558-C560 PolarHBondContact O-N 2.85Å; C560-Q562 VanDerWaalsContact C-N 3.32Å; C560-Q562 PolarHBondContact O-N 3.08Å
561	V	33.3	Very low	47.6	Very low	85 Å²	85	125.4 Å²	125.4	52%	0.515	65%	0.646	S	S	.	*			trans	-50.9	101	178.8	173.4	0	0	0	0	106.9	P559 N563	P559-V561 PolarHBondContact O-N 3.48Å; V561-N563 HydrophobicContact CG1-CB 3.64Å; V561-N563 PolarHBondContact O-N 2.8Å
562	Q	34.4	Very low	44.7	Very low	191 Å²	191	130.6 Å²	130.6	89%	0.893	68%	0.678	S	S	*	*			trans	-70.8	45.3	166.8	-74.3	-170.6	-5.4	0	0	109.3	C560	C560-Q562 VanDerWaalsContact C-N 3.32Å; C560-Q562 PolarHBondContact O-N 3.08Å
563	N	38.9	Very low	42	Very low	146 Å²	146	136.9 Å²	136.9	78%	0.781	71%	0.705	S	S	*	*			trans	-127.9	71.1	169.7	-77.5	-23.4	0	0	0	108	V561	V561-N563 HydrophobicContact CG1-CB 3.64Å; V561-N563 PolarHBondContact O-N 2.8Å
564	G	34.4	Very low	39	Very low	61 Å²	61	142.9 Å²	142.9	63%	0.629	73%	0.733	S	S	*	*	S	Bend	trans	-140.1	106.9	150.7	0	0	0	0	0	105.1	R566	G564-R566 VanDerWaalsContact C-N 3.29Å; G564-R566 PolarHBondContact O-N 2.86Å
565	S	34.6	Very low	36.3	Very low	113 Å²	113	143.2 Å²	143.2	79%	0.79	74%	0.743	S	S	*	*			trans	-52.6	97.2	171.8	-178.9	0	0	0	0	108.2	K567	S565-K567 PolarHBondContact O-N 3.09Å
566	R	30.6	Very low	33.9	Very low	242 Å²	242	152.6 Å²	152.6	91%	0.913	77%	0.773	S	S	*	*			trans	-69.1	88.5	164.6	-94	-171.6	167.2	-167.9	-1.9	105.3	G564 S568	G564-R566 VanDerWaalsContact C-N 3.29Å; G564-R566 PolarHBondContact O-N 2.86Å; R566-S568 VanDerWaalsContact C-N 3.26Å; R566-S568 PolarHBondContact O-N 2.99Å
567	K	30.4	Very low	32.1	Very low	170 Å²	170	149 Å²	149	74%	0.739	78%	0.775	S	S	*	*			trans	-55.9	103.3	155.4	-75.5	-172.5	177.9	179.5	0	105.8	S565 F569	S565-K567 PolarHBondContact O-N 3.09Å; K567-F569 PolarHBondContact O-N 2.69Å
568	S	27.7	Very low	31.2	Very low	101 Å²	101	149.4 Å²	149.4	71%	0.706	78%	0.778	S	S	*	*			trans	-56.9	102.9	169.1	174.4	0	0	0	0	107.2	R566 K570	R566-S568 VanDerWaalsContact C-N 3.26Å; R566-S568 PolarHBondContact O-N 2.99Å; S568-K570 VanDerWaalsContact C-N 3.25Å; S568-K570 PolarHBondContact O-N 2.83Å
569	F	29.1	Very low	31	Very low	199 Å²	199	149 Å²	149	87%	0.873	78%	0.775	S	S	*	*			trans	-70	93.1	164.8	-87.9	-86.3	0	0	0	106.9	K567 R571	K567-F569 PolarHBondContact O-N 2.69Å; F569-R571 PolarHBondContact O-N 3.32Å
570	K	31.3	Very low	30.9	Very low	179 Å²	179	150.7 Å²	150.7	78%	0.778	78%	0.778	S	S	*	*			trans	-59.3	105.9	162.3	-78.2	-174.6	177.4	179.8	0	107.2	S568 T572	S568-K570 VanDerWaalsContact C-N 3.25Å; S568-K570 PolarHBondContact O-N 2.83Å; K570-T572 VanDerWaalsContact C-N 3.34Å; K570-T572 PolarHBondContact O-N 2.82Å
571	R	29.9	Very low	31	Very low	247 Å²	247	157.2 Å²	157.2	93%	0.932	79%	0.786	S	S	*	*			trans	-67.8	95.6	167.9	-131	179.2	-176.3	174.3	0.6	107.3	F569 K573	F569-R571 PolarHBondContact O-N 3.32Å; R571-K573 PolarHBondContact O-N 2.87Å
572	T	29.6	Very low	30.6	Very low	127 Å²	127	157 Å²	157	78%	0.779	80%	0.802	S	S	*	*			trans	-61.7	114.2	168.5	31.2	0	0	0	0	109	K570 K574	K570-T572 VanDerWaalsContact C-N 3.34Å; K570-T572 PolarHBondContact O-N 2.82Å; T572-K574 PolarHBondContact O-N 2.83Å
573	K	31.6	Very low	30.2	Very low	213 Å²	213	156.2 Å²	156.2	93%	0.926	80%	0.8	S	S	*	*			trans	-60.2	113	166.7	-87.6	-179.6	171	178.9	0	108.6	R571	R571-K573 PolarHBondContact O-N 2.87Å
574	K	29.2	Very low	30.1	Very low	187 Å²	187	154.7 Å²	154.7	81%	0.813	80%	0.798	S	S	*	*			trans	-91.7	120.8	155.5	-90.1	-174	174.7	-178.6	0	108	T572	T572-K574 PolarHBondContact O-N 2.83Å
575	S	28.8	Very low	29.9	Very low	100 Å²	100	156.3 Å²	156.3	70%	0.699	80%	0.8	S	S	*	*			trans	-72.2	131.4	170.6	-171.5	0	0	0	0	109.2
576	Y	28.3	Very low	29.6	Very low	218 Å²	218	157.4 Å²	157.4	86%	0.855	81%	0.806	S	S	*	*			trans	-129.3	125.9	153.8	-85.9	-80.5	0	0	0	107.3
577	S	29.2	Very low	29.6	Very low	99 Å²	99	153.5 Å²	153.5	69%	0.692	80%	0.803	S	S	*	*			trans	-106	155.6	178.2	-65.4	0	0	0	0	111
578	S	29.5	Very low	29.5	Very low	109 Å²	109	154.2 Å²	154.2	76%	0.762	81%	0.806	S	S	*	*			trans	80.2	137.3	163.9	97.5	0	0	0	0	115.7
579	T	28.3	Very low	29.9	Very low	119 Å²	119	157 Å²	157	73%	0.73	81%	0.813	S	S	*	*			cis	-168.9	156.7	26.2	-17	0	0	0	0	110.4
580	L	28.7	Very low	29.9	Very low	149 Å²	149	151.1 Å²	151.1	78%	0.78	81%	0.808	S	S	*	*			trans	101.7	96.7	154.5	-63.6	164.4	0	0	0	121
581	R	32.3	Very low	30.3	Very low	246 Å²	246	150.7 Å²	150.7	93%	0.928	81%	0.812	S	S	*	*			trans	42.5	124	131.8	-66	-167.7	-167.2	-156.1	4.8	122
582	G	25.9	Very low	30.4	Very low	82 Å²	82	146.6 Å²	146.6	85%	0.845	81%	0.807	S	S	*	*			trans	158.7	103.7	149.3	0	0	0	0	0	113.7
583	M	25.4	Very low	30.2	Very low	174 Å²	174	145.7 Å²	145.7	86%	0.857	81%	0.806	S	S	*	*			trans	-81.4	173.2	175.9	-83.9	-106.4	96.2	0	0	112.7
584	P	37.6	Very low	30.1	Very low	113 Å²	113	143 Å²	143	73%	0.734	80%	0.802	S	S	*	*			cis	-132.6	-177.5	-13.7	24.9	-0.1	0	0	0	115.8
585	S	29.8	Very low	30	Very low	96 Å²	96	141.9 Å²	141.9	67%	0.671	80%	0.8	S	S	*	*			trans	-62.2	148.2	-171	50.9	0	0	0	0	120.2
586	C	29.1	Very low	29.9	Very low	136 Å²	136	144 Å²	144	92%	0.919	80%	0.799	S	S	*	*			trans	-118.2	136.7	147.5	-173.3	0	0	0	0	110.4
587	L	29.8	Very low	29.8	Very low	159 Å²	159	140.1 Å²	140.1	83%	0.832	79%	0.792	S	S	*	*			trans	-85.1	147.5	-155.5	-73.7	141.8	0	0	0	114.6
588	K	29.3	Very low	29.7	Very low	186 Å²	186	142.5 Å²	142.5	81%	0.809	80%	0.796	S	S	*	*			trans	-95.4	141.7	153.9	-95	-176.5	174.3	179.1	0	109.7
589	N	36.2	Very low	30	Very low	160 Å²	160	142.5 Å²	142.5	86%	0.856	79%	0.793	S	S	*	*			trans	62.5	135.8	150.3	-64.2	5.6	0	0	0	120.3
590	G	28.2	Very low	29.8	Very low	74 Å²	74	148.7 Å²	148.7	76%	0.763	80%	0.803	S	S	*	*			trans	-143.8	107.6	165.3	0	0	0	0	0	111.8
591	I	40.3	Very low	29.8	Very low	170 Å²	170	152.4 Å²	152.4	87%	0.872	81%	0.807	S	S	*	*			trans	-83.8	137.7	152.3	-68.6	166.4	0	0	0	105.8
592	I	30.6	Very low	29.6	Very low	161 Å²	161	148.1 Å²	148.1	83%	0.826	80%	0.802	S	S	*	*			trans	-138.1	136.8	166.4	-62.3	-176.6	0	0	0	110.6
593	S	25.7	Very low	29.9	Very low	109 Å²	109	148.9 Å²	148.9	76%	0.762	80%	0.795	S	S	*	*			trans	-86.2	161.9	179.4	50.7	0	0	0	0	114.2
594	D	29.8	Very low	30.2	Very low	157 Å²	157	149.6 Å²	149.6	84%	0.84	80%	0.801	S	S	*	*			trans	-58.8	140.9	173.1	-81.3	-41.9	0	0	0	115.3
595	Q	27.8	Very low	30	Very low	163 Å²	163	150.3 Å²	150.3	76%	0.762	80%	0.798	S	S	*	*				178.9	127.6	111.8	-106.4	-173.6	-39.7	0	0	114.2
596	E	26	Very low	30	Very low	145 Å²	145	154.2 Å²	154.2	68%	0.678	81%	0.81	S	S	*	*			trans	73.4	112.2	134.7	-73.4	179.5	-155.4	0	0	126
597	L	26.8	Very low	29.9	Very low	135 Å²	135	156.5 Å²	156.5	71%	0.707	80%	0.804	S	S	*	*				91.5	108.1	125	-65.8	166.5	0	0	0	122.8
598	L	26.1	Very low	29.8	Very low	149 Å²	149	156.9 Å²	156.9	78%	0.78	81%	0.806	S	S	*	*				98.2	148.6	127.5	-75.4	176.8	0	0	0	120.8
599	P	36	Very low	29.6	Very low	109 Å²	109	156.8 Å²	156.8	71%	0.708	81%	0.806	S	S	*	*				-128.7	162.4	-108	41.6	-27.6	0	0	0	115.2
600	R	24.7	Very low	29.2	Very low	250 Å²	250	155.5 Å²	155.5	94%	0.943	80%	0.804	S	S	*	*			trans	-147.7	99.3	158.9	-124.6	173.9	-177.9	168.1	-0.1	113.9
601	R	28.9	Very low	29.1	Very low	226 Å²	226	159.3 Å²	159.3	85%	0.853	80%	0.802	S	S	*	*			trans	9.6	115	145.5	-79.7	178.9	167.5	162.1	-3.6	119.1
602	N	27.9	Very low	28.5	Very low	156 Å²	156	156.7 Å²	156.7	83%	0.834	80%	0.796	S	S	*	*				143.6	93.3	115.9	-80.4	-11.2	0	0	0	111.1
603	S	31.1	Very low	28.4	Very low	98 Å²	98	156 Å²	156	69%	0.685	79%	0.793	S	S	*	*			trans	-151.4	116.6	158.8	59.3	0	0	0	0	108.8	I605	S603-I605 VanDerWaalsContact C-N 3.31Å; S603-I605 PolarHBondContact O-N 2.55Å
604	L	32.8	Very low	28.8	Very low	189 Å²	189	159.9 Å²	159.9	99%	0.99	80%	0.799	S	S	*	*			trans	-68.4	88.4	170.8	-73.1	160.7	0	0	0	108.6
605	I	33.3	Very low	29	Very low	129 Å²	129	158.8 Å²	158.8	66%	0.662	79%	0.789	S	S	*	*			trans	-99.4	111.4	161.2	-65.2	175.9	0	0	0	105.8	S603 K607	S603-I605 VanDerWaalsContact C-N 3.31Å; S603-I605 PolarHBondContact O-N 2.55Å; I605-K607 HydrophobicContact CG2-CG 4.3Å; I605-K607 PolarHBondContact O-N 3.24Å
606	L	30	Very low	29.4	Very low	177 Å²	177	158 Å²	158	93%	0.927	80%	0.795	S	S	*	*			trans	-62.9	86.9	159.5	-95.1	153.2	0	0	0	107.4	L608	L606-L608 PolarHBondContact O-N 3.26Å; L606-L608 VanDerWaalsContact O-N 3.11Å
607	K	26.4	Very low	29.9	Very low	185 Å²	185	156.9 Å²	156.9	80%	0.804	79%	0.794	S	S	*	*			trans	-63.9	106.1	161	-90.7	-177.2	173.2	178.9	0	106.2	I605 K609	I605-K607 HydrophobicContact CG2-CG 4.3Å; I605-K607 PolarHBondContact O-N 3.24Å; K607-K609 VanDerWaalsContact C-N 3.28Å; K607-K609 PolarHBondContact O-N 2.7Å
608	L	27.7	Very low	30.7	Very low	166 Å²	166	155.3 Å²	155.3	87%	0.869	79%	0.794	S	S	*	*			trans	-62.1	97.8	164.1	-162.2	77	0	0	0	106.9	L606 T610	L606-L608 PolarHBondContact O-N 3.26Å; L606-L608 VanDerWaalsContact O-N 3.11Å; L608-T610 PolarHBondContact O-N 3.14Å
609	K	24.2	Very low	31.7	Very low	185 Å²	185	155.8 Å²	155.8	80%	0.804	79%	0.792	S	S	*	*			trans	-72	109.6	173.2	-139.9	-178.8	-176.9	-172	0	105.5	K607 E611	K607-K609 VanDerWaalsContact C-N 3.28Å; K607-K609 PolarHBondContact O-N 2.7Å; K609-E611 VanDerWaalsContact C-N 3.32Å; K609-E611 PolarHBondContact O-N 3.41Å
610	T	29.3	Very low	32.6	Very low	132 Å²	132	155.1 Å²	155.1	81%	0.81	78%	0.783	S	S	*	*			trans	-68.2	95.6	169.1	-43.6	0	0	0	0	107	L608	L608-T610 PolarHBondContact O-N 3.14Å
611	E	24.7	Very low	34.5	Very low	154 Å²	154	147.3 Å²	147.3	72%	0.72	77%	0.766	S	S	*	*			trans	-70	130.1	162.1	-74.6	-159.1	155.5	0	0	108.1	K609 L613	K609-E611 VanDerWaalsContact C-N 3.32Å; K609-E611 PolarHBondContact O-N 3.41Å; E611-L613 PolarHBondContact O-N 2.88Å
612	P	28.7	Very low	37.1	Very low	116 Å²	116	137.8 Å²	137.8	75%	0.753	74%	0.739	S	S	*	*			trans	-71.9	105.1	174	28.8	-28.9	0	0	0	107.6	Q614	P612-Q614 PolarHBondContact O-N 3.18Å; P612-Q614 VanDerWaalsContact O-N 3.07Å
613	L	28.7	Very low	39.9	Very low	146 Å²	146	131.6 Å²	131.6	76%	0.764	71%	0.707	S	S	*	*			trans	-62.9	109.8	161.3	-87.9	116.8	0	0	0	107.5	E611 H615	E611-L613 PolarHBondContact O-N 2.88Å; L613-H615 VanDerWaalsContact C-N 3.31Å; L613-H615 PolarHBondContact O-N 2.79Å
614	Q	34.9	Very low	42.6	Very low	191 Å²	191	132.1 Å²	132.1	89%	0.893	70%	0.702	S	S	*	*			trans	-65.1	92.8	165.9	-76.9	176.3	-18.9	0	0	108.6	P612	P612-Q614 PolarHBondContact O-N 3.18Å; P612-Q614 VanDerWaalsContact O-N 3.07Å
615	H	32.2	Very low	45.3	Very low	134 Å²	134	127.5 Å²	127.5	62%	0.62	68%	0.675	S	S	*	*			trans	-121.8	100.9	162.9	-90	-64.7	0	0	0	108.3	L613 D617	L613-H615 VanDerWaalsContact C-N 3.31Å; L613-H615 PolarHBondContact O-N 2.79Å; H615-D617 PolarHBondContact O-N 3.49Å
616	T	36.8	Very low	48	Very low	145 Å²	145	122.4 Å²	122.4	89%	0.89	65%	0.648	S	S	*	*			trans	16.5	66.5	158.7	45.5	0	0	0	0	117.4
617	D	37.5	Very low	51	Low	122 Å²	122	115.1 Å²	115.1	65%	0.652	61%	0.609	S	S	*	*			trans	-101.3	106.4	174.3	-95.2	-38.8	0	0	0	110.2	H615 N620	H615-D617 PolarHBondContact O-N 3.49Å; D617-N620 PolarHBondContact OD1-ND2 3.41Å
618	S	41.8	Very low	54	Low	102 Å²	102	113.6 Å²	113.6	71%	0.713	60%	0.602	S	S	*	*	S	Bend	trans	-131.6	-3.7	162.4	59.7	0	0	0	0	113.8
619	Q	48.8	Very low	57	Low	160 Å²	160	109.9 Å²	109.9	75%	0.748	58%	0.58	S	S	*	*	S	Bend	trans	-104.1	-32.4	-178.1	-70.7	-96.5	-22.9	0	0	113.3
620	N	53.4	Low	60.2	Low	94 Å²	94	104 Å²	104	50%	0.503	55%	0.553	S	S	.	*	H	α-helix	trans	-76.9	-22.3	-176.1	-72.4	-27.8	0	0	0	114.5	D617 G622 V623 D624	D617-N620 PolarHBondContact OD1-ND2 3.41Å; N620-G622 VanDerWaalsContact C-N 3.28Å; N620-G622 PolarHBondContact O-N 3.25Å; N620-V623 PolarHBondContact O-N 3.26Å; N620-D624 PolarHBondContact O-N 3.5Å
621	S	65.6	Low	63.2	Low	86 Å²	86	100.3 Å²	100.3	60%	0.601	53%	0.526	S	S	*	.	H	α-helix	trans	-62.6	-31.9	-175.5	61	0	0	0	0	113.6	Q625	S621-Q625 VanDerWaalsContact O-CB 3.25Å; S621-Q625 WeakPolarHBondContact O-CB 3.32Å; S621-Q625 PolarHBondContact O-N 3.45Å
622	G	83.6	Confident	66.4	Low	27 Å²	27	97.4 Å²	97.4	28%	0.278	52%	0.522	S	S	.	.	H	α-helix	trans	-75.3	-38.5	179.6	0	0	0	0	0	113.7	N620 Y626	N620-G622 VanDerWaalsContact C-N 3.28Å; N620-G622 PolarHBondContact O-N 3.25Å; G622-Y626 WeakPolarHBondContact O-CB 3.49Å; G622-Y626 PolarHBondContact O-N 3.16Å
623	V	86.6	Confident	69.3	Low	25 Å²	25	97.5 Å²	97.5	15%	0.152	51%	0.511	C	S	.	.	H	α-helix	trans	-68.9	-47.8	-178.9	176.7	0	0	0	0	110.5	E383 Y386 N620 Q625 Y626 F627	E383-V623 HydrophobicContact CG-CG1 4.22Å; Y386-V623 HydrophobicContact CD1-CG2 3.73Å; Y386-V623 HydrophobicContact CE1-CG2 3.58Å; N620-V623 PolarHBondContact O-N 3.26Å; V623-Q625 VanDerWaalsContact C-N 3.34Å; V623-Q625 PolarHBondContact O-N 3.38Å; V623-Y626 WeakPolarHBondContact O-CB 3.28Å; V623-Y626 PolarHBondContact O-N 3.04Å; V623-F627 HydrophobicContact CG1-CD2 3.71Å; V623-F627 HydrophobicContact CG1-CE2 3.36Å; V623-F627 HydrophobicContact CG1-CZ 4.5Å; V623-F627 WeakPolarHBondContact O-CD2 3.48Å; V623-F627 PolarHBondContact O-N 3.06Å
624	D	87.6	Confident	72.2	Confident	110 Å²	110	96.6 Å²	96.6	59%	0.588	51%	0.514	S	S	*	.	H	α-helix	trans	-63.4	-41.1	178.7	-73.2	-26.1	0	0	0	111.9	N620 F627 K628	N620-D624 PolarHBondContact O-N 3.5Å; D624-F627 PolarHBondContact O-N 3.17Å; D624-K628 WeakPolarHBondContact O-CB 3.45Å; D624-K628 PolarHBondContact O-N 2.85Å
625	Q	89.2	Confident	74.8	Confident	91 Å²	91	91.2 Å²	91.2	43%	0.425	49%	0.494	S	S	.	.	H	α-helix	trans	-63.1	-43	174.9	-176.5	61.2	27.3	0	0	111.1	S621 V623 F627 K628 E629	S621-Q625 VanDerWaalsContact O-CB 3.25Å; S621-Q625 WeakPolarHBondContact O-CB 3.32Å; S621-Q625 PolarHBondContact O-N 3.45Å; V623-Q625 VanDerWaalsContact C-N 3.34Å; V623-Q625 PolarHBondContact O-N 3.38Å; Q625-F627 PolarHBondContact O-N 2.65Å; Q625-K628 PolarHBondContact O-N 3.06Å; Q625-E629 PolarHBondContact NE2-OE1 2.95Å; Q625-E629 WeakPolarHBondContact O-CB 3.44Å; Q625-E629 WeakPolarHBondContact O-CG 3.42Å; Q625-E629 PolarHBondContact O-N 3.36Å
626	Y	90.9	Very high	77.6	Confident	22 Å²	22	89.6 Å²	89.6	9%	0.086	49%	0.49	C	S	.	.	H	α-helix	trans	-58.3	-48.2	175.4	170.7	-102.6	0	0	0	112.1	Y386 S390 G622 V623 K628 E629 W630 L642	Y386-Y626 AromaticContact CD2-CD1 3.47Å; Y386-Y626 HydrophobicContact CD2-CD1 3.47Å; Y386-Y626 VanDerWaalsContact CD2-CD1 3.47Å; Y386-Y626 AromaticContact CD2-CD2 3.66Å; Y386-Y626 HydrophobicContact CD2-CD2 3.66Å; Y386-Y626 AromaticContact CD2-CE1 3.95Å; Y386-Y626 HydrophobicContact CD2-CE1 3.95Å; Y386-Y626 HydrophobicContact CD2-CE2 4.14Å; Y386-Y626 AromaticContact CD2-CG 3.29Å; Y386-Y626 HydrophobicContact CD2-CG 3.29Å; Y386-Y626 HydrophobicContact CE2-CD1 4.37Å; Y386-Y626 HydrophobicContact CE2-CD2 4.06Å; Y386-Y626 AromaticContact CE2-CG 3.79Å; Y386-Y626 HydrophobicContact CE2-CG 3.79Å; Y386-Y626 AromaticContact CG-CD1 3.96Å; Y386-Y626 HydrophobicContact CG-CD1 3.96Å; Y386-Y626 HydrophobicContact CG-CE1 4.32Å; Y386-Y626 HydrophobicContact CG-CG 4.21Å; S390-Y626 WeakPolarHBondContact OG-CD2 3.33Å; S390-Y626 WeakPolarHBondContact OG-CE2 3.34Å; G622-Y626 WeakPolarHBondContact O-CB 3.49Å; G622-Y626 PolarHBondContact O-N 3.16Å; V623-Y626 WeakPolarHBondContact O-CB 3.28Å; V623-Y626 PolarHBondContact O-N 3.04Å; Y626-K628 PolarHBondContact O-N 2.85Å; Y626-E629 PolarHBondContact O-N 3.46Å; Y626-W630 AromaticContact CE2-CE3 3.91Å; Y626-W630 HydrophobicContact CE2-CE3 3.91Å; Y626-W630 HydrophobicContact CE2-CZ3 4.39Å; Y626-W630 AromaticContact CZ-CE3 3.74Å; Y626-W630 VanDerWaalsContact O-CB 3.29Å; Y626-W630 WeakPolarHBondContact O-CB 3.26Å; Y626-W630 PolarHBondContact O-N 2.99Å; Y626-W630 WeakPolarHBondContact OH-CZ3 3.41Å; Y626-L642 HydrophobicContact CE1-CD1 3.58Å
627	F	92.1	Very high	80.1	Confident	25 Å²	25	84.7 Å²	84.7	11%	0.11	46%	0.458	C	S	.	.	H	α-helix	trans	-63.3	-42.6	178	-76.1	-64.2	0	0	0	112.1	A382 V623 D624 Q625 E629 W630 F631 L642	A382-F627 HydrophobicContact CB-CE1 3.8Å; A382-F627 HydrophobicContact CB-CZ 3.65Å; V623-F627 HydrophobicContact CG1-CD2 3.71Å; V623-F627 HydrophobicContact CG1-CE2 3.36Å; V623-F627 HydrophobicContact CG1-CZ 4.5Å; V623-F627 WeakPolarHBondContact O-CD2 3.48Å; V623-F627 PolarHBondContact O-N 3.06Å; D624-F627 PolarHBondContact O-N 3.17Å; Q625-F627 PolarHBondContact O-N 2.65Å; F627-E629 PolarHBondContact O-N 3.44Å; F627-W630 WeakPolarHBondContact O-CB 3.05Å; F627-W630 PolarHBondContact O-N 2.99Å; F627-F631 HydrophobicContact CB-CD2 4.44Å; F627-F631 HydrophobicContact CB-CE2 4.22Å; F627-F631 HydrophobicContact CD1-CE2 4.07Å; F627-F631 WeakPolarHBondContact O-CD2 3.44Å; F627-F631 PolarHBondContact O-N 3.26Å; F627-L642 HydrophobicContact CD1-CD1 3.97Å; F627-L642 HydrophobicContact CE1-CB 4.4Å; F627-L642 HydrophobicContact CE1-CD1 3.78Å; F627-L642 HydrophobicContact CE1-CD2 4.49Å; F627-L642 HydrophobicContact CE1-CG 4.46Å
628	K	90	Very high	82.6	Confident	153 Å²	153	80.8 Å²	80.8	67%	0.665	44%	0.436	S	S	*	.	H	α-helix	trans	-60.9	-45	177.4	-173.2	178	179.3	-178.1	0	111.6	D624 Q625 Y626 S632	D624-K628 WeakPolarHBondContact O-CB 3.45Å; D624-K628 PolarHBondContact O-N 2.85Å; Q625-K628 PolarHBondContact O-N 3.06Å; Y626-K628 PolarHBondContact O-N 2.85Å; K628-S632 PolarHBondContact O-N 3.43Å
629	E	90.8	Very high	85	Confident	88 Å²	88	76.8 Å²	76.8	41%	0.411	41%	0.41	S	S	.	.	H	α-helix	trans	-65.3	-40.4	174.7	-74.3	179.8	-165.5	0	0	112	Q625 Y626 F627 S632	Q625-E629 PolarHBondContact NE2-OE1 2.95Å; Q625-E629 WeakPolarHBondContact O-CB 3.44Å; Q625-E629 WeakPolarHBondContact O-CG 3.42Å; Q625-E629 PolarHBondContact O-N 3.36Å; Y626-E629 PolarHBondContact O-N 3.46Å; F627-E629 PolarHBondContact O-N 3.44Å; E629-S632 WeakPolarHBondContact O-CB 3.32Å; E629-S632 PolarHBondContact O-N 3.22Å; E629-S632 PolarHBondContact O-OG 3Å
630	W	91.5	Very high	87.2	Confident	60 Å²	60	69.9 Å²	69.9	23%	0.227	38%	0.378	C	S	.	.	H	α-helix	trans	-59.5	-50.5	179.1	-169.6	-91.3	0	0	0	111.7	Y626 F627 S632 K633 I640 L642	Y626-W630 AromaticContact CE2-CE3 3.91Å; Y626-W630 HydrophobicContact CE2-CE3 3.91Å; Y626-W630 HydrophobicContact CE2-CZ3 4.39Å; Y626-W630 AromaticContact CZ-CE3 3.74Å; Y626-W630 VanDerWaalsContact O-CB 3.29Å; Y626-W630 WeakPolarHBondContact O-CB 3.26Å; Y626-W630 PolarHBondContact O-N 2.99Å; Y626-W630 WeakPolarHBondContact OH-CZ3 3.41Å; F627-W630 WeakPolarHBondContact O-CB 3.05Å; F627-W630 PolarHBondContact O-N 2.99Å; W630-S632 PolarHBondContact O-N 2.98Å; W630-K633 PolarHBondContact O-N 3.25Å; W630-K633 VanDerWaalsContact O-N 3.12Å; W630-I640 HydrophobicContact CH2-CB 3.74Å; W630-I640 HydrophobicContact CH2-CD1 4.43Å; W630-I640 HydrophobicContact CH2-CG2 4.07Å; W630-I640 HydrophobicContact CZ2-CB 3.81Å; W630-I640 HydrophobicContact CZ2-CG2 3.92Å; W630-I640 WeakPolarHBondContact CZ2-O 3.17Å; W630-L642 HydrophobicContact CB-CD1 4.28Å; W630-L642 HydrophobicContact CD2-CD1 3.75Å; W630-L642 HydrophobicContact CD2-CG 4.5Å; W630-L642 HydrophobicContact CE3-CD1 4.4Å; W630-L642 HydrophobicContact CG-CD1 3.63Å; W630-L642 HydrophobicContact CG-CG 4.49Å
631	F	92.8	Very high	89.3	Confident	56 Å²	56	65.5 Å²	65.5	25%	0.246	36%	0.355	C	S	.	.	H	α-helix	trans	-73.2	-8.3	-179.1	-66	-58.9	0	0	0	114.1	F627 L642 P643 R644	F627-F631 HydrophobicContact CB-CD2 4.44Å; F627-F631 HydrophobicContact CB-CE2 4.22Å; F627-F631 HydrophobicContact CD1-CE2 4.07Å; F627-F631 WeakPolarHBondContact O-CD2 3.44Å; F627-F631 PolarHBondContact O-N 3.26Å; F631-L642 HydrophobicContact CZ-CB 4.24Å; F631-P643 WeakPolarHBondContact CZ-O 3.25Å; F631-R644 HydrophobicContact CD1-CG 4.22Å; F631-R644 HydrophobicContact CE1-CG 3.71Å; F631-R644 HydrophobicContact CZ-CG 4.03Å
632	S	91.2	Very high	90.8	Very high	92 Å²	92	61.4 Å²	61.4	64%	0.643	33%	0.326	S	S	*	.	H	α-helix	trans	-81.1	-19.7	170.8	78.8	0	0	0	0	113.1	K628 E629 W630	K628-S632 PolarHBondContact O-N 3.43Å; E629-S632 WeakPolarHBondContact O-CB 3.32Å; E629-S632 PolarHBondContact O-N 3.22Å; E629-S632 PolarHBondContact O-OG 3Å; W630-S632 PolarHBondContact O-N 2.98Å
633	K	90.4	Very high	91.4	Very high	119 Å²	119	60.1 Å²	60.1	52%	0.517	31%	0.313	S	S	.	.	S	Bend	trans	-89.6	152	-178.7	-64.9	170.9	-170.8	170.4	0	110.9	W630	W630-K633 PolarHBondContact O-N 3.25Å; W630-K633 VanDerWaalsContact O-N 3.12Å
634	P	89.3	Confident	91.8	Very high	127 Å²	127	63.4 Å²	63.4	83%	0.825	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-63	140.8	171.4	27.3	-34	0	0	0	110.6	N636	P634-N636 PolarHBondContact O-N 3.03Å
635	V	88.8	Confident	92.1	Very high	77 Å²	77	60 Å²	60	47%	0.467	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-68.6	124.6	-177.6	179.3	0	0	0	0	110.3	Y473 L637	Y473-V635 HydrophobicContact CD1-CG1 3.86Å; Y473-V635 HydrophobicContact CE1-CG1 3.79Å; Y473-V635 HydrophobicContact CE1-CG2 3.94Å; V635-L637 HydrophobicContact CG1-CD2 4.02Å
636	N	90.8	Very high	92.1	Very high	100 Å²	100	58.4 Å²	58.4	54%	0.535	30%	0.303	S	S	.	.			trans	-90	99.8	167.2	-179.5	-1.9	0	0	0	109.8	P634 H638 G639	P634-N636 PolarHBondContact O-N 3.03Å; N636-H638 PolarHBondContact O-N 3.38Å; N636-H638 PolarHBondContact OD1-N 3.01Å; N636-G639 PolarHBondContact O-N 3.43Å; N636-G639 PolarHBondContact OD1-N 3.01Å
637	L	89.6	Confident	91.6	Very high	42 Å²	42	60.5 Å²	60.5	22%	0.22	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-19.9	-178.7	-59.6	174	0	0	0	113.7	R422 A475 A476 I554 V635	R422-L637 PolarHBondContact NH1-O 3.22Å; A475-L637 HydrophobicContact CB-CD1 3.65Å; A475-L637 HydrophobicContact CB-CD2 4.24Å; A476-L637 HydrophobicContact CB-CB 4.45Å; A476-L637 HydrophobicContact CB-CD2 4.15Å; I554-L637 HydrophobicContact CB-CD1 4.44Å; I554-L637 HydrophobicContact CD1-CD1 3.97Å; V635-L637 HydrophobicContact CG1-CD2 4.02Å
638	H	90.3	Very high	91.4	Very high	41 Å²	41	65 Å²	65	19%	0.19	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	2.2	-179.9	-65.6	-49.1	0	0	0	114.4	P419 I554 R556 N636	P419-H638 WeakPolarHBondContact CG-O 3.22Å; I554-H638 PolarHBondContact O-CE1 2.79Å; R556-H638 HydrophobicContact CG-CB 4.26Å; R556-H638 WeakPolarHBondContact CG-ND1 3.36Å; R556-H638 PolarHBondContact N-CE1 2.85Å; R556-H638 VanDerWaalsContact N-CE1 3.26Å; R556-H638 PolarHBondContact NH2-O 3.45Å; N636-H638 PolarHBondContact O-N 3.38Å; N636-H638 PolarHBondContact OD1-N 3.01Å
639	G	91.9	Very high	91.4	Very high	17 Å²	17	61.1 Å²	61.1	18%	0.175	35%	0.345	C	S	.	.	S	Bend	trans	-107.4	-154.6	173.5	0	0	0	0	0	110.9	R422 N636	R422-G639 PolarHBondContact NH2-O 2.96Å; N636-G639 PolarHBondContact O-N 3.43Å; N636-G639 PolarHBondContact OD1-N 3.01Å
640	I	95.4	Very high	91.6	Very high	16 Å²	16	57.5 Å²	57.5	8%	0.082	33%	0.329	C	S	.	.			trans	-63.6	141.1	176.3	-62.3	166.7	0	0	0	109.8	V385 D389 M416 M417 W630 L642	V385-I640 HydrophobicContact CG1-CD1 4.44Å; V385-I640 HydrophobicContact CG1-CG2 3.65Å; D389-I640 HydrophobicContact CB-CD1 3.72Å; D389-I640 WeakPolarHBondContact OD1-CD1 3.43Å; M416-I640 CarbonylContact O-C 3.59Å; M416-I640 VanDerWaalsContact O-CA 3.26Å; M416-I640 WeakPolarHBondContact O-CA 3.25Å; M417-I640 HydrophobicContact CB-CG1 4.5Å; M417-I640 HydrophobicContact CE-CD1 4.1Å; M417-I640 HydrophobicContact CG-CG1 4.4Å; W630-I640 HydrophobicContact CH2-CB 3.74Å; W630-I640 HydrophobicContact CH2-CD1 4.43Å; W630-I640 HydrophobicContact CH2-CG2 4.07Å; W630-I640 HydrophobicContact CZ2-CB 3.81Å; W630-I640 HydrophobicContact CZ2-CG2 3.92Å; W630-I640 WeakPolarHBondContact CZ2-O 3.17Å; I640-L642 HydrophobicContact CG2-CD2 4.06Å; I640-L642 HydrophobicContact CG2-CG 4.16Å
641	I	96.7	Very high	91.7	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	34%	0.338	C	S	.	.			trans	-121.8	137.9	168.2	59.1	171.6	0	0	0	109.1	M416 L469 Y473 F477	M416-I641 VanDerWaalsContact CB-O 3.3Å; M416-I641 WeakPolarHBondContact CB-O 3.23Å; M416-I641 WeakPolarHBondContact CG-O 3.42Å; M416-I641 PolarHBondContact O-N 3.44Å; L469-I641 HydrophobicContact CB-CD1 4.49Å; Y473-I641 HydrophobicContact CD2-CB 4.21Å; Y473-I641 HydrophobicContact CD2-CD1 4.22Å; Y473-I641 HydrophobicContact CE2-CB 4.24Å; Y473-I641 HydrophobicContact CG-CG2 4.45Å; F477-I641 HydrophobicContact CE2-CD1 3.65Å; F477-I641 HydrophobicContact CZ-CD1 3.73Å
642	L	97.2	Very high	91.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.332	C	S	.	.			trans	-122.3	137.8	179.6	-63.5	177.2	0	0	0	110.1	A382 V385 Y473 Y626 F627 W630 F631 I640	A382-L642 HydrophobicContact CB-CD2 4.17Å; V385-L642 HydrophobicContact CB-CD2 4.01Å; V385-L642 HydrophobicContact CG1-CD2 3.76Å; V385-L642 HydrophobicContact CG2-CD2 4.48Å; Y473-L642 VanDerWaalsContact CE2-O 3.31Å; Y473-L642 WeakPolarHBondContact CE2-O 3.5Å; Y473-L642 PolarHBondContact OH-O 3.29Å; Y626-L642 HydrophobicContact CE1-CD1 3.58Å; F627-L642 HydrophobicContact CD1-CD1 3.97Å; F627-L642 HydrophobicContact CE1-CB 4.4Å; F627-L642 HydrophobicContact CE1-CD1 3.78Å; F627-L642 HydrophobicContact CE1-CD2 4.49Å; F627-L642 HydrophobicContact CE1-CG 4.46Å; W630-L642 HydrophobicContact CB-CD1 4.28Å; W630-L642 HydrophobicContact CD2-CD1 3.75Å; W630-L642 HydrophobicContact CD2-CG 4.5Å; W630-L642 HydrophobicContact CE3-CD1 4.4Å; W630-L642 HydrophobicContact CG-CD1 3.63Å; W630-L642 HydrophobicContact CG-CG 4.49Å; F631-L642 HydrophobicContact CZ-CB 4.24Å; I640-L642 HydrophobicContact CG2-CD2 4.06Å; I640-L642 HydrophobicContact CG2-CG 4.16Å
643	P	96.8	Very high	91.7	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	30%	0.302	C	S	.	.			trans	-71.1	142.1	-179.4	28.7	-33.6	0	0	0	111.6	L378 A382 M416 L469 F631 L645	L378-P643 HydrophobicContact CB-CB 4.3Å; L378-P643 HydrophobicContact CB-CG 3.98Å; L378-P643 HydrophobicContact CD1-CB 4.41Å; L378-P643 HydrophobicContact CD2-CB 4.14Å; L378-P643 HydrophobicContact CD2-CG 4.16Å; A382-P643 HydrophobicContact CB-CG 4.13Å; M416-P643 HydrophobicContact CE-CG 3.89Å; L469-P643 HydrophobicContact CD2-CB 3.83Å; L469-P643 HydrophobicContact CD2-CG 4.36Å; F631-P643 WeakPolarHBondContact CZ-O 3.25Å; P643-L645 HydrophobicContact CB-CD2 4.12Å; P643-L645 HydrophobicContact CG-CD2 3.96Å; P643-L645 HydrophobicContact CG-CG 4.41Å
644	R	94.8	Very high	91.5	Very high	94 Å²	94	51.9 Å²	51.9	36%	0.355	30%	0.295	S	S	.	.			trans	-80	124.7	161.3	-64.7	-175.3	-178.2	-85.4	-0.3	108.6	Q472 F631 H649	Q472-R644 PolarHBondContact NE2-O 3.26Å; Q472-R644 VanDerWaalsContact NE2-O 3.12Å; F631-R644 HydrophobicContact CD1-CG 4.22Å; F631-R644 HydrophobicContact CE1-CG 3.71Å; F631-R644 HydrophobicContact CZ-CG 4.03Å; R644-H649 HydrophobicContact CB-CB 3.88Å; R644-H649 WeakPolarHBondContact CD-NE2 3.25Å; R644-H649 WeakPolarHBondContact O-CB 3.49Å
645	L	93.9	Very high	91.3	Very high	37 Å²	37	47.3 Å²	47.3	19%	0.194	26%	0.264	C	S	.	.			trans	-106.2	2.5	-167.5	-61.5	166.6	0	0	0	114.4	R375 L378 Q379 P643	R375-L645 VanDerWaalsContact CD-O 3.24Å; R375-L645 WeakPolarHBondContact CD-O 3.48Å; R375-L645 HydrophobicContact CG-CB 4.39Å; R375-L645 HydrophobicContact CG-CD2 4.19Å; L378-L645 HydrophobicContact CB-CD2 3.7Å; Q379-L645 HydrophobicContact CB-CD1 3.68Å; Q379-L645 HydrophobicContact CB-CD2 4.2Å; Q379-L645 HydrophobicContact CG-CD1 3.83Å; P643-L645 HydrophobicContact CB-CD2 4.12Å; P643-L645 HydrophobicContact CG-CD2 3.96Å; P643-L645 HydrophobicContact CG-CG 4.41Å
646	S	89.3	Confident	91.3	Very high	58 Å²	58	44 Å²	44	41%	0.406	24%	0.244	S	C	.	.	S	Bend	trans	-67.4	150.5	175.2	77	0	0	0	0	110.4	T648 H649 I650	S646-T648 PolarHBondContact O-N 2.75Å; S646-T648 PolarHBondContact OG-OG1 3.42Å; S646-H649 PolarHBondContact O-N 2.88Å; S646-H649 PolarHBondContact OG-ND1 3.48Å; S646-I650 PolarHBondContact O-N 3.3Å
647	G	80.9	Confident	91.1	Very high	67 Å²	67	39.2 Å²	39.2	69%	0.691	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.2	-176	0	0	0	0	0	114.3	H649	G647-H649 VanDerWaalsContact C-N 3.32Å; G647-H649 PolarHBondContact O-N 3.48Å
648	T	86.4	Confident	90.7	Very high	119 Å²	119	38.4 Å²	38.4	73%	0.73	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-19.1	175.6	50.7	0	0	0	0	114.8	S646	S646-T648 PolarHBondContact O-N 2.75Å; S646-T648 PolarHBondContact OG-OG1 3.42Å
649	H	91.4	Very high	90.1	Very high	71 Å²	71	37.2 Å²	37.2	33%	0.329	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-19.8	-180	-67.8	98.1	0	0	0	113.4	Q472 R644 S646 G647	Q472-H649 PolarHBondContact NE2-O 2.71Å; R644-H649 HydrophobicContact CB-CB 3.88Å; R644-H649 WeakPolarHBondContact CD-NE2 3.25Å; R644-H649 WeakPolarHBondContact O-CB 3.49Å; S646-H649 PolarHBondContact O-N 2.88Å; S646-H649 PolarHBondContact OG-ND1 3.48Å; G647-H649 VanDerWaalsContact C-N 3.32Å; G647-H649 PolarHBondContact O-N 3.48Å
650	I	94.4	Very high	89.3	Confident	13 Å²	13	37.5 Å²	37.5	7%	0.067	20%	0.203	C	C	.	.	S	Bend	trans	-86.7	113.2	173.5	-56.1	-57.8	0	0	0	108.1	L371 V374 R375 L378 S646	L371-I650 HydrophobicContact CB-CG2 4.25Å; L371-I650 HydrophobicContact CD2-CG2 4.21Å; V374-I650 HydrophobicContact CG1-CG2 4.17Å; R375-I650 HydrophobicContact CB-CG1 4.33Å; R375-I650 HydrophobicContact CG-CG1 4.39Å; L378-I650 HydrophobicContact CD1-CD1 3.91Å; S646-I650 PolarHBondContact O-N 3.3Å
651	K	92.4	Very high	88	Confident	96 Å²	96	36.8 Å²	36.8	42%	0.417	20%	0.199	S	C	.	.			trans	-103.9	160.1	-174.9	-64.3	-172.8	-171.9	174.3	0	111	W467 Q468 E471	W467-K651 HydrophobicContact CH2-CB 3.66Å; W467-K651 HydrophobicContact CZ3-CB 3.95Å; W467-K651 WeakPolarHBondContact CZ3-O 2.83Å; Q468-K651 PolarHBondContact NE2-O 3.29Å; E471-K651 HydrophobicContact CG-CD 4.05Å; E471-K651 IonicContact OE1-NZ 3.73Å; E471-K651 PolarHBondContact OE1-NZ 3.11Å
652	L	92.4	Very high	86.2	Confident	24 Å²	24	39.9 Å²	39.9	13%	0.126	22%	0.219	C	C	.	.			trans	-82.7	128.2	168.1	-175.7	67.4	0	0	0	109.5	L345 W361 L365 L371 K654 Y657 F658	L345-L652 HydrophobicContact CD1-CD1 4.16Å; W361-L652 HydrophobicContact CZ2-CD2 3.93Å; L365-L652 HydrophobicContact CD1-CD1 4.25Å; L371-L652 HydrophobicContact CD2-CD1 4.39Å; L652-K654 VanDerWaalsContact C-N 3.34Å; L652-K654 PolarHBondContact O-N 3.38Å; L652-Y657 HydrophobicContact CD1-CD2 3.51Å; L652-Y657 HydrophobicContact CD1-CE2 3.98Å; L652-Y657 HydrophobicContact CD1-CG 4.45Å; L652-Y657 HydrophobicContact CG-CD2 4.04Å; L652-F658 HydrophobicContact CD2-CD2 4.18Å; L652-F658 HydrophobicContact CD2-CE2 3.52Å; L652-F658 HydrophobicContact CD2-CZ 4.35Å
653	W	92.4	Very high	84.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.231	C	C	.	.			trans	-72.3	83	-179.5	-171	9.5	0	0	0	112.2	L460 L463 D464 W467 E481 L484 A485 L655 C656 Y657	L460-W653 HydrophobicContact CD1-CZ3 4.16Å; L463-W653 HydrophobicContact CB-CH2 4.04Å; L463-W653 HydrophobicContact CB-CZ3 3.8Å; D464-W653 HydrophobicContact CB-CE3 4.01Å; D464-W653 HydrophobicContact CB-CZ3 4.47Å; W467-W653 HydrophobicContact CB-CD2 4.06Å; W467-W653 HydrophobicContact CB-CE3 4.22Å; W467-W653 HydrophobicContact CB-CZ2 4.4Å; W467-W653 HydrophobicContact CB-CZ3 4.47Å; W467-W653 AromaticContact CD1-CD1 3.81Å; W467-W653 AromaticContact CD1-CE2 3.84Å; W467-W653 AromaticContact CD1-NE1 3.52Å; W467-W653 HydrophobicContact CD2-CB 3.91Å; W467-W653 AromaticContact CD2-CD1 3.59Å; W467-W653 HydrophobicContact CD2-CD2 4.06Å; W467-W653 AromaticContact CD2-CG 3.6Å; W467-W653 HydrophobicContact CD2-CG 3.6Å; W467-W653 AromaticContact CE2-CD1 3.41Å; W467-W653 VanDerWaalsContact CE2-CD1 3.41Å; W467-W653 AromaticContact CE2-CG 3.89Å; W467-W653 AromaticContact CE2-NE1 3.94Å; W467-W653 HydrophobicContact CE3-CB 3.61Å; W467-W653 HydrophobicContact CE3-CD2 4.47Å; W467-W653 AromaticContact CE3-CG 3.85Å; W467-W653 HydrophobicContact CE3-CG 3.85Å; W467-W653 AromaticContact CG-CD1 3.84Å; W467-W653 AromaticContact CG-CD2 3.85Å; W467-W653 HydrophobicContact CG-CD2 3.85Å; W467-W653 AromaticContact CG-CE2 3.82Å; W467-W653 HydrophobicContact CG-CE3 4.48Å; W467-W653 AromaticContact CG-CG 3.9Å; W467-W653 HydrophobicContact CG-CG 3.9Å; W467-W653 HydrophobicContact CG-CZ2 4.45Å; W467-W653 AromaticContact CG-NE1 3.8Å; W467-W653 HydrophobicContact CH2-CB 4.16Å; W467-W653 HydrophobicContact CZ2-CB 4.42Å; W467-W653 AromaticContact CZ2-CD1 3.89Å; W467-W653 HydrophobicContact CZ2-CG 4.38Å; W467-W653 HydrophobicContact CZ3-CB 3.75Å; W467-W653 HydrophobicContact CZ3-CG 4.33Å; W467-W653 AromaticContact NE1-CD1 3.54Å; W467-W653 AromaticContact NE1-NE1 3.57Å; E481-W653 HydrophobicContact CG-CZ2 4.44Å; E481-W653 PolarHBondContact OE1-NE1 2.8Å; L484-W653 HydrophobicContact CB-CH2 3.61Å; L484-W653 HydrophobicContact CB-CZ2 3.69Å; A485-W653 HydrophobicContact CB-CZ2 4.37Å; W653-L655 PolarHBondContact O-N 3.21Å; W653-C656 HydrophobicContact CB-CB 4.21Å; W653-C656 HydrophobicContact CD2-CB 3.4Å; W653-C656 VanDerWaalsContact CD2-CB 3.4Å; W653-C656 HydrophobicContact CE3-CB 3.67Å; W653-C656 HydrophobicContact CG-CB 3.64Å; W653-C656 HydrophobicContact CZ2-CB 4.33Å; W653-C656 HydrophobicContact CZ3-CB 4.22Å; W653-C656 PolarHBondContact O-N 2.94Å; W653-Y657 HydrophobicContact CB-CD2 4Å; W653-Y657 HydrophobicContact CB-CE2 3.75Å; W653-Y657 VanDerWaalsContact O-CD2 3.25Å; W653-Y657 WeakPolarHBondContact O-CD2 3.49Å; W653-Y657 PolarHBondContact O-N 3.09Å
654	K	86.2	Confident	82.5	Confident	89 Å²	89	45 Å²	45	39%	0.387	25%	0.253	S	S	.	.	H	α-helix	trans	-59.6	-44	-172.6	-65.8	-176.1	-178.9	177.4	0	113.2	L652 C656 Y657 F658 R659	L652-K654 VanDerWaalsContact C-N 3.34Å; L652-K654 PolarHBondContact O-N 3.38Å; K654-C656 PolarHBondContact O-N 3.12Å; K654-C656 VanDerWaalsContact O-N 3.14Å; K654-Y657 PolarHBondContact O-N 3.45Å; K654-F658 HydrophobicContact CG-CD2 4.43Å; K654-F658 CarbonylContact O-C 3.5Å; K654-F658 WeakPolarHBondContact O-CA 3.37Å; K654-F658 PolarHBondContact O-N 2.89Å; K654-R659 PolarHBondContact O-N 2.89Å
655	L	84.6	Confident	80.9	Confident	30 Å²	30	45 Å²	45	16%	0.157	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-19.9	178.3	-162.6	91.8	0	0	0	112.2	E481 A485 W653 R659 F735	E481-L655 HydrophobicContact CB-CD2 4.31Å; E481-L655 HydrophobicContact CG-CB 4.24Å; E481-L655 HydrophobicContact CG-CD2 3.59Å; E481-L655 WeakPolarHBondContact OE1-CB 3.47Å; A485-L655 HydrophobicContact CB-CD2 3.95Å; W653-L655 PolarHBondContact O-N 3.21Å; L655-R659 VanDerWaalsContact O-CB 3.25Å; L655-R659 WeakPolarHBondContact O-CB 3.43Å; L655-R659 WeakPolarHBondContact O-CG 3.44Å; L655-R659 PolarHBondContact O-NE 3.12Å; L655-R659 PolarHBondContact O-NH2 2.95Å; L655-F735 HydrophobicContact CD1-CD2 4.1Å; L655-F735 HydrophobicContact CD2-CD2 4.31Å; L655-F735 HydrophobicContact CD2-CE2 3.93Å; L655-F735 HydrophobicContact CG-CD2 4.23Å; L655-F735 HydrophobicContact CG-CE2 4.31Å
656	C	88.7	Confident	79.6	Confident	7 Å²	7	46.7 Å²	46.7	5%	0.047	27%	0.265	C	S	.	.	H	α-helix	trans	-88.7	-57.9	172.3	-174.8	0	0	0	0	111.6	W653 K654	W653-C656 HydrophobicContact CB-CB 4.21Å; W653-C656 HydrophobicContact CD2-CB 3.4Å; W653-C656 VanDerWaalsContact CD2-CB 3.4Å; W653-C656 HydrophobicContact CE3-CB 3.67Å; W653-C656 HydrophobicContact CG-CB 3.64Å; W653-C656 HydrophobicContact CZ2-CB 4.33Å; W653-C656 HydrophobicContact CZ3-CB 4.22Å; W653-C656 PolarHBondContact O-N 2.94Å; K654-C656 PolarHBondContact O-N 3.12Å; K654-C656 VanDerWaalsContact O-N 3.14Å
657	Y	87.6	Confident	78.6	Confident	1 Å²	1	48.8 Å²	48.8	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-83.9	-24	-166.9	-56.6	-50.8	0	0	0	114.6	F141 F342 L345 W370 L460 D464 L652 W653 K654	F141-Y657 HydrophobicContact CE1-CD1 4.02Å; F141-Y657 AromaticContact CE2-CD1 3.69Å; F141-Y657 HydrophobicContact CE2-CD1 3.69Å; F141-Y657 HydrophobicContact CE2-CE1 4.23Å; F141-Y657 AromaticContact CZ-CD1 3.36Å; F141-Y657 HydrophobicContact CZ-CD1 3.36Å; F141-Y657 AromaticContact CZ-CE1 3.98Å; F141-Y657 HydrophobicContact CZ-CE1 3.98Å; F141-Y657 HydrophobicContact CZ-CG 4.35Å; F342-Y657 HydrophobicContact CE2-CE1 4.38Å; L345-Y657 HydrophobicContact CD2-CD1 4.09Å; L345-Y657 HydrophobicContact CD2-CD2 4.3Å; L345-Y657 HydrophobicContact CD2-CE1 3.93Å; L345-Y657 HydrophobicContact CD2-CE2 4.15Å; L345-Y657 HydrophobicContact CD2-CG 4.27Å; W370-Y657 VanDerWaalsContact CE2-OH 3.3Å; W370-Y657 VanDerWaalsContact CZ2-OH 3.22Å; W370-Y657 WeakPolarHBondContact CZ2-OH 3.47Å; W370-Y657 AromaticContact NE1-CE2 3.91Å; W370-Y657 AromaticContact NE1-CZ 3.63Å; W370-Y657 PolarHBondContact NE1-OH 3.44Å; L460-Y657 HydrophobicContact CD2-CE1 4.19Å; D464-Y657 PolarHBondContact OD2-OH 3.14Å; L652-Y657 HydrophobicContact CD1-CD2 3.51Å; L652-Y657 HydrophobicContact CD1-CE2 3.98Å; L652-Y657 HydrophobicContact CD1-CG 4.45Å; L652-Y657 HydrophobicContact CG-CD2 4.04Å; W653-Y657 HydrophobicContact CB-CD2 4Å; W653-Y657 HydrophobicContact CB-CE2 3.75Å; W653-Y657 VanDerWaalsContact O-CD2 3.25Å; W653-Y657 WeakPolarHBondContact O-CD2 3.49Å; W653-Y657 PolarHBondContact O-N 3.09Å; K654-Y657 PolarHBondContact O-N 3.45Å
658	F	80.6	Confident	77.9	Confident	25 Å²	25	50.5 Å²	50.5	11%	0.11	27%	0.265	C	S	.	.	S	Bend	trans	-120.1	11.8	-178.8	-69	-53.8	0	0	0	113.7	C349 W361 L652 K654 W660 V661	C349-F658 HydrophobicContact CB-CD1 4.37Å; C349-F658 HydrophobicContact CB-CE1 3.97Å; W361-F658 HydrophobicContact CH2-CE1 4.24Å; W361-F658 HydrophobicContact CH2-CE2 4.14Å; W361-F658 AromaticContact CH2-CZ 3.35Å; W361-F658 HydrophobicContact CH2-CZ 3.35Å; W361-F658 AromaticContact CZ2-CE2 3.97Å; W361-F658 HydrophobicContact CZ2-CE2 3.97Å; W361-F658 AromaticContact CZ2-CZ 3.63Å; W361-F658 HydrophobicContact CZ2-CZ 3.63Å; W361-F658 HydrophobicContact CZ3-CZ 4.18Å; L652-F658 HydrophobicContact CD2-CD2 4.18Å; L652-F658 HydrophobicContact CD2-CE2 3.52Å; L652-F658 HydrophobicContact CD2-CZ 4.35Å; K654-F658 HydrophobicContact CG-CD2 4.43Å; K654-F658 CarbonylContact O-C 3.5Å; K654-F658 WeakPolarHBondContact O-CA 3.37Å; K654-F658 PolarHBondContact O-N 2.89Å; F658-W660 PolarHBondContact O-N 3.4Å; F658-V661 HydrophobicContact CB-CB 4.43Å; F658-V661 HydrophobicContact CB-CG2 4.11Å; F658-V661 HydrophobicContact CD1-CG2 3.6Å; F658-V661 HydrophobicContact CE1-CG2 4.44Å; F658-V661 HydrophobicContact CG-CG2 4.3Å; F658-V661 WeakPolarHBondContact O-CB 3.46Å; F658-V661 PolarHBondContact O-N 3.19Å
659	R	77.8	Confident	77	Confident	16 Å²	16	45.7 Å²	45.7	6%	0.06	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-34.7	-179.9	-160.5	-178	-58.7	165.7	9.2	113.9	A485 D489 K654 L655 F735	A485-R659 VanDerWaalsContact CB-NH2 3.29Å; D489-R659 IonicContact OD1-CZ 3.18Å; D489-R659 IonicContact OD1-NH1 3.82Å; D489-R659 PolarHBondContact OD1-NH1 3.25Å; D489-R659 IonicContact OD1-NH2 3.62Å; D489-R659 IonicContact OD2-CZ 2.86Å; D489-R659 IonicContact OD2-NH1 3.12Å; D489-R659 PolarHBondContact OD2-NH1 2.87Å; K654-R659 PolarHBondContact O-N 2.89Å; L655-R659 VanDerWaalsContact O-CB 3.25Å; L655-R659 WeakPolarHBondContact O-CB 3.43Å; L655-R659 WeakPolarHBondContact O-CG 3.44Å; L655-R659 PolarHBondContact O-NE 3.12Å; L655-R659 PolarHBondContact O-NH2 2.95Å; R659-F735 HydrophobicContact CG-CB 4.02Å; R659-F735 HydrophobicContact CG-CD2 4.38Å; R659-F735 HydrophobicContact CG-CG 4.19Å
660	W	74.4	Confident	76.2	Confident	22 Å²	22	44.9 Å²	44.9	8%	0.083	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	0.3	-173.8	-51	117.2	0	0	0	113.7	D140 R142 F658 G739 L741	D140-W660 PolarHBondContact O-NE1 2.67Å; R142-W660 HydrophobicContact CG-CB 4.38Å; R142-W660 HydrophobicContact CG-CD2 3.48Å; R142-W660 VanDerWaalsContact CG-CD2 3.48Å; R142-W660 VanDerWaalsContact CG-CE2 3.43Å; R142-W660 HydrophobicContact CG-CE3 4.17Å; R142-W660 HydrophobicContact CG-CG 3.55Å; R142-W660 HydrophobicContact CG-CZ2 4.04Å; F658-W660 PolarHBondContact O-N 3.4Å; W660-G739 VanDerWaalsContact O-O 3.06Å; W660-L741 HydrophobicContact CB-CD1 4.24Å
661	V	69.8	Low	75.3	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.012	28%	0.281	C	S	.	.	S	Bend	trans	-82.4	125.6	171.1	-179	0	0	0	0	107.2	F658 E663 L741 R743 T749	F658-V661 HydrophobicContact CB-CB 4.43Å; F658-V661 HydrophobicContact CB-CG2 4.11Å; F658-V661 HydrophobicContact CD1-CG2 3.6Å; F658-V661 HydrophobicContact CE1-CG2 4.44Å; F658-V661 HydrophobicContact CG-CG2 4.3Å; F658-V661 WeakPolarHBondContact O-CB 3.46Å; F658-V661 PolarHBondContact O-N 3.19Å; V661-E663 PolarHBondContact O-N 3.15Å; V661-L741 HydrophobicContact CB-CD1 4.17Å; V661-L741 HydrophobicContact CG2-CD1 3.23Å; V661-L741 HydrophobicContact CG2-CG 4.47Å; V661-R743 VanDerWaalsContact CG2-NH2 3.33Å; V661-T749 HydrophobicContact CG1-CG2 3.58Å
662	P	59	Low	74.7	Confident	65 Å²	65	45.4 Å²	45.4	42%	0.422	27%	0.265	S	S	.	.			trans	-58.3	111.2	168	-21.9	33.5	0	0	0	109.6
663	E	57.1	Low	74.2	Confident	52 Å²	52	45.7 Å²	45.7	24%	0.243	27%	0.266	C	S	.	.			trans	-78.4	154.1	169.4	-70.7	-168.3	159.7	0	0	110	V661 Q665 S731	V661-E663 PolarHBondContact O-N 3.15Å; E663-Q665 PolarHBondContact O-N 3.12Å; E663-S731 VanDerWaalsContact OE2-CB 3.28Å; E663-S731 WeakPolarHBondContact OE2-CB 3.48Å; E663-S731 PolarHBondContact OE2-OG 3.02Å
664	A	58.8	Low	73.7	Confident	57 Å²	57	47.9 Å²	47.9	47%	0.471	28%	0.284	S	S	.	.			trans	-56.5	115.6	164.8	0	0	0	0	0	108.1	I666	A664-I666 PolarHBondContact O-N 3.26Å
665	Q	61.4	Low	73.6	Confident	95 Å²	95	45.3 Å²	45.3	44%	0.444	27%	0.273	S	S	.	.			trans	-68.5	103.3	-178.3	-71.8	-170	-17.5	0	0	109.6	E663 N667	E663-Q665 PolarHBondContact O-N 3.12Å; Q665-N667 PolarHBondContact O-N 3.33Å
666	I	66.4	Low	73.7	Confident	71 Å²	71	44.1 Å²	44.1	36%	0.364	27%	0.267	S	S	.	.			trans	-84.9	89.6	169	-51.9	177.1	0	0	0	107.2	A664 L668 G669 L755	A664-I666 PolarHBondContact O-N 3.26Å; I666-L668 PolarHBondContact O-N 3.36Å; I666-G669 PolarHBondContact O-N 3Å; I666-L755 HydrophobicContact CD1-CD1 4.09Å
667	N	67.6	Low	73.5	Confident	103 Å²	103	49.4 Å²	49.4	55%	0.551	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	131.1	174.9	-69	-25.7	0	0	0	109.5	Q665 G669	Q665-N667 PolarHBondContact O-N 3.33Å; N667-G669 PolarHBondContact O-N 3.37Å; N667-G669 VanDerWaalsContact O-N 3.17Å
668	L	66.2	Low	73.5	Confident	103 Å²	103	52 Å²	52	54%	0.539	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	21	175.7	-54.2	172.1	0	0	0	115.5	I666 M673 L729	I666-L668 PolarHBondContact O-N 3.36Å; L668-M673 VanDerWaalsContact CA-CE 3.43Å; L668-M673 HydrophobicContact CB-CE 3.89Å; L668-M673 HydrophobicContact CD2-CE 3.6Å; L668-M673 HydrophobicContact CG-CE 4.38Å; L668-L729 PolarHBondContact N-O 2.9Å
669	G	68.6	Low	73.9	Confident	18 Å²	18	50.9 Å²	50.9	19%	0.186	30%	0.298	C	S	.	.			trans	-130.8	-174.8	179.8	0	0	0	0	0	114.6	I666 N667 I672	I666-G669 PolarHBondContact O-N 3Å; N667-G669 PolarHBondContact O-N 3.37Å; N667-G669 VanDerWaalsContact O-N 3.17Å; G669-I672 WeakPolarHBondContact O-CG2 3.37Å
670	G	74.8	Confident	74.4	Confident	54 Å²	54	52.2 Å²	52.2	56%	0.557	31%	0.306	S	S	*	.	H	α-helix	trans	73.1	-170.7	173.3	0	0	0	0	0	116.2	I672 M673 A674	G670-I672 PolarHBondContact O-N 2.96Å; G670-M673 PolarHBondContact O-N 3.44Å; G670-A674 PolarHBondContact O-N 3.19Å
671	S	75.4	Confident	75.1	Confident	104 Å²	104	55.4 Å²	55.4	73%	0.727	33%	0.325	S	S	*	.	H	α-helix	trans	-60	-27.7	178.4	50.8	0	0	0	0	112.7	A674 F675	S671-A674 WeakPolarHBondContact O-CB 3.39Å; S671-A674 PolarHBondContact O-N 3.23Å; S671-F675 PolarHBondContact O-N 2.63Å
672	I	79.8	Confident	75.9	Confident	15 Å²	15	56.4 Å²	56.4	8%	0.077	33%	0.333	C	S	.	.	H	α-helix	trans	-71.3	-37.6	179.9	-164.4	70.4	0	0	0	113.3	G669 G670 A674 F675 H676 F733	G669-I672 WeakPolarHBondContact O-CG2 3.37Å; G670-I672 PolarHBondContact O-N 2.96Å; I672-A674 VanDerWaalsContact C-N 3.27Å; I672-A674 PolarHBondContact O-N 2.96Å; I672-F675 HydrophobicContact CD1-CB 4.46Å; I672-F675 HydrophobicContact CD1-CD1 4.46Å; I672-F675 WeakPolarHBondContact O-CB 3.47Å; I672-F675 PolarHBondContact O-N 2.71Å; I672-H676 PolarHBondContact O-N 2.75Å; I672-F733 HydrophobicContact CD1-CB 3.67Å; I672-F733 HydrophobicContact CD1-CD1 3.33Å; I672-F733 HydrophobicContact CD1-CE1 4.29Å; I672-F733 HydrophobicContact CD1-CG 3.84Å; I672-F733 HydrophobicContact CG1-CB 3.81Å; I672-F733 HydrophobicContact CG1-CD1 4.15Å; I672-F733 HydrophobicContact CG1-CG 4.22Å
673	M	81.1	Confident	77.3	Confident	31 Å²	31	53.8 Å²	53.8	15%	0.153	32%	0.315	C	S	.	.	H	α-helix	trans	-65.4	-37.3	173.5	-178	51.4	63.9	0	0	110.6	L668 G670 H676 K677	L668-M673 VanDerWaalsContact CA-CE 3.43Å; L668-M673 HydrophobicContact CB-CE 3.89Å; L668-M673 HydrophobicContact CD2-CE 3.6Å; L668-M673 HydrophobicContact CG-CE 4.38Å; G670-M673 PolarHBondContact O-N 3.44Å; M673-H676 PolarHBondContact O-N 3.3Å; M673-K677 HydrophobicContact CG-CG 4.47Å; M673-K677 WeakPolarHBondContact O-CG 3.48Å; M673-K677 PolarHBondContact O-N 2.83Å; M673-K677 HydrophobicContact SD-CD 4.45Å; M673-K677 HydrophobicContact SD-CG 4.02Å
674	A	82.5	Confident	78.8	Confident	46 Å²	46	55.6 Å²	55.6	38%	0.38	32%	0.324	S	S	.	.	H	α-helix	trans	-61.8	-47.9	172.7	0	0	0	0	0	111.3	G670 S671 I672 H676 K677 L678	G670-A674 PolarHBondContact O-N 3.19Å; S671-A674 WeakPolarHBondContact O-CB 3.39Å; S671-A674 PolarHBondContact O-N 3.23Å; I672-A674 VanDerWaalsContact C-N 3.27Å; I672-A674 PolarHBondContact O-N 2.96Å; A674-H676 VanDerWaalsContact C-N 3.34Å; A674-H676 PolarHBondContact O-N 3.39Å; A674-K677 PolarHBondContact O-N 3.44Å; A674-L678 VanDerWaalsContact O-CB 3.31Å; A674-L678 WeakPolarHBondContact O-CB 3.49Å; A674-L678 WeakPolarHBondContact O-CD1 3.21Å; A674-L678 VanDerWaalsContact O-CG 3.22Å; A674-L678 WeakPolarHBondContact O-CG 3.36Å; A674-L678 PolarHBondContact O-N 3.48Å
675	F	83.8	Confident	80.1	Confident	34 Å²	34	57.4 Å²	57.4	15%	0.149	33%	0.329	C	S	.	.	H	α-helix	trans	-53.5	-50.3	173.8	178.2	-90.2	0	0	0	111.4	P551 S671 I672 L678 S679 F714 F733	P551-F675 HydrophobicContact CG-CD2 3.79Å; P551-F675 HydrophobicContact CG-CE2 3.66Å; P551-F675 HydrophobicContact CG-CZ 4.36Å; S671-F675 PolarHBondContact O-N 2.63Å; I672-F675 HydrophobicContact CD1-CB 4.46Å; I672-F675 HydrophobicContact CD1-CD1 4.46Å; I672-F675 WeakPolarHBondContact O-CB 3.47Å; I672-F675 PolarHBondContact O-N 2.71Å; F675-L678 PolarHBondContact O-N 2.83Å; F675-S679 WeakPolarHBondContact O-CB 3.04Å; F675-S679 PolarHBondContact O-N 3.39Å; F675-S679 PolarHBondContact O-OG 2.89Å; F675-F714 HydrophobicContact CD1-CD2 4.47Å; F675-F714 HydrophobicContact CD1-CE2 4.03Å; F675-F714 HydrophobicContact CE1-CD2 4.27Å; F675-F714 AromaticContact CE1-CE2 3.93Å; F675-F714 HydrophobicContact CE1-CE2 3.93Å; F675-F733 HydrophobicContact CE1-CE1 4.2Å
676	H	86.1	Confident	81.2	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.028	32%	0.317	C	S	.	.	H	α-helix	trans	-57.6	-53.4	178.1	167.6	-109.9	0	0	0	113	I672 M673 A674 L678 S679 L680 F714 P726 L729	I672-H676 PolarHBondContact O-N 2.75Å; M673-H676 PolarHBondContact O-N 3.3Å; A674-H676 VanDerWaalsContact C-N 3.34Å; A674-H676 PolarHBondContact O-N 3.39Å; H676-L678 PolarHBondContact O-N 2.85Å; H676-S679 PolarHBondContact O-N 3.21Å; H676-L680 WeakPolarHBondContact O-CG 3.4Å; H676-L680 PolarHBondContact O-N 3.33Å; H676-F714 HydrophobicContact CB-CD2 4.29Å; H676-F714 HydrophobicContact CB-CE2 4.17Å; H676-F714 AromaticContact CD2-CD1 3.54Å; H676-F714 AromaticContact CD2-CD2 3.74Å; H676-F714 AromaticContact CD2-CE1 3.86Å; H676-F714 AromaticContact CD2-CG 3.48Å; H676-F714 VanDerWaalsContact CD2-CG 3.48Å; H676-F714 WeakPolarHBondContact CD2-CG 3.48Å; H676-P726 VanDerWaalsContact NE2-CG 3.3Å; H676-P726 WeakPolarHBondContact NE2-CG 3.29Å; H676-L729 HydrophobicContact CB-CD1 3.44Å; H676-L729 VanDerWaalsContact CB-CD1 3.44Å; H676-L729 VanDerWaalsContact CG-CD1 3.44Å
677	K	86.1	Confident	82	Confident	117 Å²	117	53.6 Å²	53.6	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-60.4	-36.8	-179.8	-68.9	-63.8	-175.2	-177.5	0	111.9	M673 A674 L681	M673-K677 HydrophobicContact CG-CG 4.47Å; M673-K677 WeakPolarHBondContact O-CG 3.48Å; M673-K677 PolarHBondContact O-N 2.83Å; M673-K677 HydrophobicContact SD-CD 4.45Å; M673-K677 HydrophobicContact SD-CG 4.02Å; A674-K677 PolarHBondContact O-N 3.44Å; K677-L681 PolarHBondContact O-N 3.24Å; K677-L681 VanDerWaalsContact O-N 3.1Å
678	L	87.6	Confident	82.8	Confident	56 Å²	56	52.6 Å²	52.6	29%	0.293	31%	0.305	S	S	.	.	H	α-helix	trans	-74.8	-36.5	177.9	-70.9	166.9	0	0	0	112.8	F552 A674 F675 H676 L680 L681 A682	F552-L678 HydrophobicContact CD1-CD1 3.98Å; F552-L678 HydrophobicContact CE1-CD1 3.09Å; F552-L678 HydrophobicContact CE1-CG 4.44Å; F552-L678 HydrophobicContact CE2-CD1 3.94Å; F552-L678 HydrophobicContact CZ-CD1 3.07Å; A674-L678 VanDerWaalsContact O-CB 3.31Å; A674-L678 WeakPolarHBondContact O-CB 3.49Å; A674-L678 WeakPolarHBondContact O-CD1 3.21Å; A674-L678 VanDerWaalsContact O-CG 3.22Å; A674-L678 WeakPolarHBondContact O-CG 3.36Å; A674-L678 PolarHBondContact O-N 3.48Å; F675-L678 PolarHBondContact O-N 2.83Å; H676-L678 PolarHBondContact O-N 2.85Å; L678-L680 VanDerWaalsContact C-N 3.31Å; L678-L680 PolarHBondContact O-N 3.33Å; L678-L681 PolarHBondContact O-N 3.27Å; L678-A682 VanDerWaalsContact O-CB 3.26Å; L678-A682 WeakPolarHBondContact O-CB 3.44Å; L678-A682 PolarHBondContact O-N 3.33Å
679	S	87.6	Confident	83.6	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.014	29%	0.291	C	S	.	.	H	α-helix	trans	-59.1	-44.3	171.2	-64.8	0	0	0	0	111.2	F675 H676 A682 D683	F675-S679 WeakPolarHBondContact O-CB 3.04Å; F675-S679 PolarHBondContact O-N 3.39Å; F675-S679 PolarHBondContact O-OG 2.89Å; H676-S679 PolarHBondContact O-N 3.21Å; S679-A682 PolarHBondContact O-N 3.23Å; S679-D683 WeakPolarHBondContact O-CB 3.22Å; S679-D683 PolarHBondContact O-N 2.96Å
680	L	88.9	Confident	84.2	Confident	43 Å²	43	50.7 Å²	50.7	23%	0.225	29%	0.293	C	S	.	.	H	α-helix	trans	-59.9	-47.9	175.3	-66.8	177.6	0	0	0	111.6	H676 L678 A682 D683 E684 F714 R715	H676-L680 WeakPolarHBondContact O-CG 3.4Å; H676-L680 PolarHBondContact O-N 3.33Å; L678-L680 VanDerWaalsContact C-N 3.31Å; L678-L680 PolarHBondContact O-N 3.33Å; L680-A682 PolarHBondContact O-N 2.82Å; L680-D683 PolarHBondContact O-N 3.13Å; L680-E684 WeakPolarHBondContact O-CB 3.42Å; L680-E684 PolarHBondContact O-N 2.99Å; L680-F714 HydrophobicContact CD2-CB 3.83Å; L680-F714 HydrophobicContact CG-CB 4.29Å; L680-R715 VanDerWaalsContact CD2-C 3.48Å; L680-R715 WeakPolarHBondContact CD2-O 3.24Å
681	L	89	Confident	84.5	Confident	90 Å²	90	52.9 Å²	52.9	47%	0.471	29%	0.289	S	S	.	.	H	α-helix	trans	-62.4	-43.3	178.3	179.8	63.9	0	0	0	111.9	K677 L678 D683 E684 V685	K677-L681 PolarHBondContact O-N 3.24Å; K677-L681 VanDerWaalsContact O-N 3.1Å; L678-L681 PolarHBondContact O-N 3.27Å; L681-D683 VanDerWaalsContact C-N 3.33Å; L681-D683 PolarHBondContact O-N 2.9Å; L681-E684 PolarHBondContact O-N 3.29Å; L681-V685 HydrophobicContact CD1-CG2 4.45Å; L681-V685 VanDerWaalsContact O-CG2 3.27Å; L681-V685 WeakPolarHBondContact O-CG2 3.45Å; L681-V685 PolarHBondContact O-N 3.39Å
682	A	87.1	Confident	84.8	Confident	23 Å²	23	53.3 Å²	53.3	19%	0.19	28%	0.283	C	S	.	.	H	α-helix	trans	-65.9	-37.6	179.8	0	0	0	0	0	111.6	P551 L678 S679 L680 D686 M712	P551-A682 HydrophobicContact CB-CB 4.3Å; L678-A682 VanDerWaalsContact O-CB 3.26Å; L678-A682 WeakPolarHBondContact O-CB 3.44Å; L678-A682 PolarHBondContact O-N 3.33Å; S679-A682 PolarHBondContact O-N 3.23Å; L680-A682 PolarHBondContact O-N 2.82Å; A682-D686 PolarHBondContact O-N 2.83Å; A682-M712 HydrophobicContact CB-CE 3.58Å; A682-M712 HydrophobicContact CB-CG 4.39Å; A682-M712 HydrophobicContact CB-SD 4.08Å
683	D	87.2	Confident	84.8	Confident	9 Å²	9	59.8 Å²	59.8	5%	0.048	31%	0.307	C	S	.	.	H	α-helix	trans	-65.4	-44.8	173.9	-169.6	56.7	0	0	0	112	S679 L680 L681 V685 D686 M687 S710 M712 R715 A716	S679-D683 WeakPolarHBondContact O-CB 3.22Å; S679-D683 PolarHBondContact O-N 2.96Å; L680-D683 PolarHBondContact O-N 3.13Å; L681-D683 VanDerWaalsContact C-N 3.33Å; L681-D683 PolarHBondContact O-N 2.9Å; D683-V685 VanDerWaalsContact C-N 3.35Å; D683-V685 PolarHBondContact O-N 3.11Å; D683-D686 PolarHBondContact O-N 2.81Å; D683-M687 WeakPolarHBondContact O-CB 3.38Å; D683-M687 PolarHBondContact O-N 2.95Å; D683-S710 VanDerWaalsContact OD1-CB 3.26Å; D683-S710 WeakPolarHBondContact OD1-CB 3.33Å; D683-S710 PolarHBondContact OD1-OG 3.36Å; D683-M712 HydrophobicContact CB-CB 3.93Å; D683-M712 HydrophobicContact CB-CG 3.85Å; D683-R715 VanDerWaalsContact OD2-CA 3.23Å; D683-R715 WeakPolarHBondContact OD2-CA 3.18Å; D683-A716 HydrophobicContact CB-CB 4.48Å; D683-A716 PolarHBondContact OD2-N 3.43Å
684	E	88.3	Confident	84.4	Confident	91 Å²	91	62.4 Å²	62.4	43%	0.425	32%	0.318	S	S	.	.	H	α-helix	trans	-59.2	-45.6	175.6	-173.6	-179.5	-172.9	0	0	111.3	L680 L681 D686 M687 L688 A716	L680-E684 WeakPolarHBondContact O-CB 3.42Å; L680-E684 PolarHBondContact O-N 2.99Å; L681-E684 PolarHBondContact O-N 3.29Å; E684-D686 PolarHBondContact O-N 3.12Å; E684-M687 PolarHBondContact O-N 2.99Å; E684-L688 HydrophobicContact CG-CD1 4.08Å; E684-L688 HydrophobicContact CG-CG 4.48Å; E684-L688 WeakPolarHBondContact O-CB 3.31Å; E684-L688 VanDerWaalsContact O-CG 3.29Å; E684-L688 WeakPolarHBondContact O-CG 3.45Å; E684-L688 PolarHBondContact O-N 3.11Å; E684-A716 HydrophobicContact CB-CB 3.88Å
685	V	86.9	Confident	83.7	Confident	94 Å²	94	68.6 Å²	68.6	57%	0.57	34%	0.339	S	S	*	.	H	α-helix	trans	-61.5	-43.6	177	170	0	0	0	0	111.6	L681 D683 G689	L681-V685 HydrophobicContact CD1-CG2 4.45Å; L681-V685 VanDerWaalsContact O-CG2 3.27Å; L681-V685 WeakPolarHBondContact O-CG2 3.45Å; L681-V685 PolarHBondContact O-N 3.39Å; D683-V685 VanDerWaalsContact C-N 3.35Å; D683-V685 PolarHBondContact O-N 3.11Å; V685-G689 PolarHBondContact O-N 3.24Å
686	D	83.5	Confident	82.9	Confident	38 Å²	38	76 Å²	76	20%	0.203	37%	0.366	C	S	.	.	H	α-helix	trans	-66.5	-42.1	177.8	-175.8	61.2	0	0	0	112	A682 D683 E684 G689 R690	A682-D686 PolarHBondContact O-N 2.83Å; D683-D686 PolarHBondContact O-N 2.81Å; E684-D686 PolarHBondContact O-N 3.12Å; D686-G689 PolarHBondContact O-N 3.23Å; D686-R690 WeakPolarHBondContact O-CG 3.23Å; D686-R690 PolarHBondContact O-N 3.17Å; D686-R690 IonicContact OD2-CZ 2.77Å; D686-R690 IonicContact OD2-NE 3.43Å; D686-R690 PolarHBondContact OD2-NE 3.38Å; D686-R690 IonicContact OD2-NH1 2.96Å; D686-R690 IonicContact OD2-NH2 2.71Å; D686-R690 PolarHBondContact OD2-NH2 3.09Å; D686-R690 VanDerWaalsContact OD2-NH2 3.12Å
687	M	84.3	Confident	81.3	Confident	48 Å²	48	79.8 Å²	79.8	24%	0.236	39%	0.393	C	S	.	.	H	α-helix	trans	-59.7	-52.3	175.4	-179.5	-108.6	-72.3	0	0	111.6	D683 E684 G689 R690 M691	D683-M687 WeakPolarHBondContact O-CB 3.38Å; D683-M687 PolarHBondContact O-N 2.95Å; E684-M687 PolarHBondContact O-N 2.99Å; M687-G689 VanDerWaalsContact C-N 3.28Å; M687-G689 PolarHBondContact O-N 3.1Å; M687-R690 PolarHBondContact O-N 2.82Å; M687-R690 VanDerWaalsContact O-N 3.12Å; M687-M691 WeakPolarHBondContact O-CG 3.15Å; M687-M691 PolarHBondContact O-N 3.26Å; M687-M691 HydrophobicContact SD-SD 3.77Å
688	L	84.4	Confident	79.4	Confident	82 Å²	82	81.5 Å²	81.5	43%	0.429	41%	0.408	S	S	.	.	H	α-helix	trans	-60.3	-38.7	175.8	-69	174.2	0	0	0	111.9	E684 R690 M691 L692	E684-L688 HydrophobicContact CG-CD1 4.08Å; E684-L688 HydrophobicContact CG-CG 4.48Å; E684-L688 WeakPolarHBondContact O-CB 3.31Å; E684-L688 VanDerWaalsContact O-CG 3.29Å; E684-L688 WeakPolarHBondContact O-CG 3.45Å; E684-L688 PolarHBondContact O-N 3.11Å; L688-R690 PolarHBondContact O-N 2.97Å; L688-M691 PolarHBondContact O-N 2.99Å; L688-L692 WeakPolarHBondContact O-CB 3.16Å; L688-L692 WeakPolarHBondContact O-CG 3.44Å; L688-L692 PolarHBondContact O-N 2.97Å
689	G	83.2	Confident	77.6	Confident	23 Å²	23	84.7 Å²	84.7	24%	0.237	43%	0.432	C	S	.	.	H	α-helix	trans	-64.8	-34.5	175.6	0	0	0	0	0	113.7	V685 D686 M687 R693	V685-G689 PolarHBondContact O-N 3.24Å; D686-G689 PolarHBondContact O-N 3.23Å; M687-G689 VanDerWaalsContact C-N 3.28Å; M687-G689 PolarHBondContact O-N 3.1Å; G689-R693 WeakPolarHBondContact O-CG 3Å; G689-R693 PolarHBondContact O-N 2.93Å; G689-R693 PolarHBondContact O-NE 3.03Å
690	R	80.4	Confident	75.6	Confident	59 Å²	59	92.2 Å²	92.2	22%	0.223	47%	0.471	C	S	.	.	H	α-helix	trans	-69.2	-46.2	171.8	-75.7	-175	-75.5	-161.4	-3.9	111.4	D686 M687 L688 L692 R693 Q694 Q709	D686-R690 WeakPolarHBondContact O-CG 3.23Å; D686-R690 PolarHBondContact O-N 3.17Å; D686-R690 IonicContact OD2-CZ 2.77Å; D686-R690 IonicContact OD2-NE 3.43Å; D686-R690 PolarHBondContact OD2-NE 3.38Å; D686-R690 IonicContact OD2-NH1 2.96Å; D686-R690 IonicContact OD2-NH2 2.71Å; D686-R690 PolarHBondContact OD2-NH2 3.09Å; D686-R690 VanDerWaalsContact OD2-NH2 3.12Å; M687-R690 PolarHBondContact O-N 2.82Å; M687-R690 VanDerWaalsContact O-N 3.12Å; L688-R690 PolarHBondContact O-N 2.97Å; R690-L692 VanDerWaalsContact C-N 3.35Å; R690-L692 PolarHBondContact O-N 2.82Å; R690-R693 PolarHBondContact O-N 3.27Å; R690-R693 VanDerWaalsContact O-N 3.13Å; R690-Q694 WeakPolarHBondContact O-CG 3.49Å; R690-Q694 PolarHBondContact O-N 3.47Å; R690-Q709 PolarHBondContact NH1-O 3.18Å
691	M	80.8	Confident	73.5	Confident	99 Å²	99	99.6 Å²	99.6	49%	0.488	51%	0.505	S	S	.	.	H	α-helix	trans	-58.7	-44.2	177	-67.7	179.2	71.7	0	0	112.2	M687 L688 R693 Q694 H695	M687-M691 WeakPolarHBondContact O-CG 3.15Å; M687-M691 PolarHBondContact O-N 3.26Å; M687-M691 HydrophobicContact SD-SD 3.77Å; L688-M691 PolarHBondContact O-N 2.99Å; M691-R693 VanDerWaalsContact C-N 3.29Å; M691-R693 PolarHBondContact O-N 3.1Å; M691-Q694 PolarHBondContact O-N 2.91Å; M691-H695 PolarHBondContact O-N 3.38Å
692	L	81.9	Confident	71.2	Confident	114 Å²	114	99 Å²	99	60%	0.597	51%	0.512	S	S	*	.	H	α-helix	trans	-62.5	-33.9	176.9	-78.7	168.2	0	0	0	113.3	L688 R690	L688-L692 WeakPolarHBondContact O-CB 3.16Å; L688-L692 WeakPolarHBondContact O-CG 3.44Å; L688-L692 PolarHBondContact O-N 2.97Å; R690-L692 VanDerWaalsContact C-N 3.35Å; R690-L692 PolarHBondContact O-N 2.82Å
693	R	80.7	Confident	68.8	Low	151 Å²	151	103.1 Å²	103.1	57%	0.57	54%	0.539	S	S	*	.	H	α-helix	trans	-71.9	-42.6	176.4	-78.8	179.4	-78.8	-158.6	0.9	111.4	G689 R690 M691 H695 R696 S697	G689-R693 WeakPolarHBondContact O-CG 3Å; G689-R693 PolarHBondContact O-N 2.93Å; G689-R693 PolarHBondContact O-NE 3.03Å; R690-R693 PolarHBondContact O-N 3.27Å; R690-R693 VanDerWaalsContact O-N 3.13Å; M691-R693 VanDerWaalsContact C-N 3.29Å; M691-R693 PolarHBondContact O-N 3.1Å; R693-H695 VanDerWaalsContact C-N 3.31Å; R693-H695 PolarHBondContact O-N 2.61Å; R693-R696 PolarHBondContact O-N 2.71Å; R693-S697 PolarHBondContact O-OG 2.9Å
694	Q	72.3	Confident	66.8	Low	86 Å²	86	113 Å²	113	40%	0.402	58%	0.577	S	S	.	*	H	α-helix	trans	-62.1	-38.9	176.2	-71.5	173.3	-13.1	0	0	111.9	R690 M691 R696 S697	R690-Q694 WeakPolarHBondContact O-CG 3.49Å; R690-Q694 PolarHBondContact O-N 3.47Å; M691-Q694 PolarHBondContact O-N 2.91Å; Q694-R696 PolarHBondContact O-N 3.08Å; Q694-R696 VanDerWaalsContact O-N 3.15Å; Q694-S697 PolarHBondContact O-N 3.01Å
695	H	68.4	Low	64.6	Low	176 Å²	176	112.4 Å²	112.4	82%	0.815	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-13.7	178.2	-124.4	-58	0	0	0	114.7	M691 R693	M691-H695 PolarHBondContact O-N 3.38Å; R693-H695 VanDerWaalsContact C-N 3.31Å; R693-H695 PolarHBondContact O-N 2.61Å
696	R	65.8	Low	62.5	Low	188 Å²	188	115.2 Å²	115.2	71%	0.709	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-7.7	178.3	-71.8	-179.6	177.7	-174.5	-0.4	113.4	R693 Q694	R693-R696 PolarHBondContact O-N 2.71Å; Q694-R696 PolarHBondContact O-N 3.08Å; Q694-R696 VanDerWaalsContact O-N 3.15Å
697	S	52.9	Low	60.7	Low	86 Å²	86	118.1 Å²	118.1	60%	0.601	61%	0.61	S	S	*	*	S	Bend	trans	-103.5	140.4	177.1	-55	0	0	0	0	109.4	R693 Q694	R693-S697 PolarHBondContact O-OG 2.9Å; Q694-S697 PolarHBondContact O-N 3.01Å
698	D	47.1	Very low	59	Low	153 Å²	153	121 Å²	121	82%	0.818	63%	0.626	S	S	*	*			trans	-58.1	152.6	-179.2	-101	-30.9	0	0	0	112.7	L700	D698-L700 PolarHBondContact O-N 2.72Å
699	P	48.8	Very low	57.9	Low	124 Å²	124	122.4 Å²	122.4	81%	0.805	63%	0.631	S	S	*	*	S	Bend	trans	-78.1	24.5	-164.2	-9.4	27	0	0	0	115.9
700	L	45.8	Very low	57.2	Low	159 Å²	159	122.1 Å²	122.1	83%	0.832	63%	0.625	S	S	*	*	S	Bend	trans	-116.1	113.8	-179.2	-73.4	163.8	0	0	0	109.9	D698	D698-L700 PolarHBondContact O-N 2.72Å
701	E	44.8	Very low	57.1	Low	199 Å²	199	127 Å²	127	93%	0.93	64%	0.643	S	S	*	*			trans	74.5	80.6	177.7	-64.5	-176	148.5	0	0	117.1
702	A	40.2	Very low	57.3	Low	76 Å²	76	123.9 Å²	123.9	63%	0.628	63%	0.628	S	S	*	*			trans	-126	104.4	153	0	0	0	0	0	109.8	Y704	A702-Y704 PolarHBondContact O-N 3.48Å
703	C	38.1	Very low	57.4	Low	111 Å²	111	119.4 Å²	119.4	75%	0.75	60%	0.603	S	S	*	*			trans	-54.5	122.1	170.4	-97.8	0	0	0	0	110.5	A705	C703-A705 PolarHBondContact O-N 2.67Å
704	Y	44.2	Very low	57.6	Low	215 Å²	215	113.3 Å²	113.3	84%	0.843	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-57.7	-4.6	173.1	-76.9	-88.2	0	0	0	114.7	A702	A702-Y704 PolarHBondContact O-N 3.48Å
705	A	41.2	Very low	58	Low	80 Å²	80	115.5 Å²	115.5	66%	0.661	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-74.2	-19.8	-178.6	0	0	0	0	0	114.9	C703	C703-A705 PolarHBondContact O-N 2.67Å
706	E	44.5	Very low	58.4	Low	153 Å²	153	108.1 Å²	108.1	72%	0.715	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-83.8	-11.1	-179.6	-84.7	-167.1	158.4	0	0	114.7	D708	E706-D708 VanDerWaalsContact C-N 3.32Å; E706-D708 PolarHBondContact O-N 2.91Å
707	L	44.9	Very low	58.7	Low	98 Å²	98	102.6 Å²	102.6	51%	0.513	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-72.8	-19.5	-177.3	-101.1	113.5	0	0	0	114.2
708	D	48.5	Very low	59.1	Low	108 Å²	108	99.6 Å²	99.6	58%	0.578	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-94.2	-0.2	-167	-158.7	11.3	0	0	0	115.1	E706 S710 R715	E706-D708 VanDerWaalsContact C-N 3.32Å; E706-D708 PolarHBondContact O-N 2.91Å; D708-S710 PolarHBondContact O-N 3.08Å; D708-R715 PolarHBondContact O-NH2 3.19Å; D708-R715 IonicContact OD1-CZ 2.7Å; D708-R715 IonicContact OD1-NH1 3.62Å; D708-R715 PolarHBondContact OD1-NH1 3.5Å; D708-R715 IonicContact OD1-NH2 3.25Å
709	Q	61.1	Low	59.5	Low	113 Å²	113	98.3 Å²	98.3	53%	0.528	52%	0.524	S	S	.	.			trans	-102.4	79.8	177.8	-66	-177.1	14.8	0	0	110.5	S208 R690	S208-Q709 PolarHBondContact OG-NE2 3.28Å; S208-Q709 PolarHBondContact OG-OE1 3.22Å; R690-Q709 PolarHBondContact NH1-O 3.18Å
710	S	69.4	Low	59.6	Low	16 Å²	16	101 Å²	101	11%	0.112	53%	0.526	C	S	.	.			trans	-62.9	140.6	162	169.1	0	0	0	0	110	D683 D708 M712	D683-S710 VanDerWaalsContact OD1-CB 3.26Å; D683-S710 WeakPolarHBondContact OD1-CB 3.33Å; D683-S710 PolarHBondContact OD1-OG 3.36Å; D708-S710 PolarHBondContact O-N 3.08Å; S710-M712 VanDerWaalsContact C-N 3.28Å; S710-M712 PolarHBondContact OG-N 3.24Å; S710-M712 PolarHBondContact OG-O 3.45Å
711	R	77.2	Confident	60.1	Low	163 Å²	163	98.4 Å²	98.4	62%	0.615	51%	0.513	S	S	*	.	S	Bend	trans	-82.6	-8.4	172.9	-64	-178	179.3	-165	-1.6	112.8
712	M	84.9	Confident	60.3	Low	33 Å²	33	95.3 Å²	95.3	16%	0.163	51%	0.508	C	S	.	.	S	Bend	trans	-104.6	146.7	-175	-60.8	-61.3	162	0	0	111	P551 A682 D683 S710 F714	P551-M712 HydrophobicContact CB-SD 4.14Å; A682-M712 HydrophobicContact CB-CE 3.58Å; A682-M712 HydrophobicContact CB-CG 4.39Å; A682-M712 HydrophobicContact CB-SD 4.08Å; D683-M712 HydrophobicContact CB-CB 3.93Å; D683-M712 HydrophobicContact CB-CG 3.85Å; S710-M712 VanDerWaalsContact C-N 3.28Å; S710-M712 PolarHBondContact OG-N 3.24Å; S710-M712 PolarHBondContact OG-O 3.45Å; M712-F714 WeakPolarHBondContact CB-O 3.36Å
713	Y	84.3	Confident	60.7	Low	20 Å²	20	98.9 Å²	98.9	8%	0.078	52%	0.516	C	S	.	.	S	Bend	trans	-69.1	-41.9	177.1	-173	-92.1	0	0	0	112.2	H89 K543 T546 L547 F733	H89-Y713 PolarHBondContact O-OH 2.9Å; K543-Y713 HydrophobicContact CD-CE2 4.4Å; K543-Y713 HydrophobicContact CG-CD2 4.16Å; K543-Y713 HydrophobicContact CG-CE2 3.9Å; K543-Y713 WeakPolarHBondContact O-CD2 3.32Å; T546-Y713 WeakPolarHBondContact OG1-CA 3.36Å; T546-Y713 WeakPolarHBondContact OG1-CB 3.4Å; T546-Y713 WeakPolarHBondContact OG1-CD2 3.36Å; T546-Y713 PolarHBondContact OG1-N 3.35Å; L547-Y713 HydrophobicContact CD1-CD2 3.97Å; L547-Y713 HydrophobicContact CD1-CE2 3.82Å; L547-Y713 HydrophobicContact CD2-CD1 4Å; L547-Y713 HydrophobicContact CD2-CD2 3.53Å; L547-Y713 HydrophobicContact CD2-CE2 4.05Å; L547-Y713 HydrophobicContact CD2-CG 3.48Å; L547-Y713 VanDerWaalsContact CD2-CG 3.48Å; L547-Y713 HydrophobicContact CG-CD2 3.41Å; L547-Y713 VanDerWaalsContact CG-CD2 3.41Å; L547-Y713 HydrophobicContact CG-CE2 3.82Å; L547-Y713 HydrophobicContact CG-CG 3.92Å; Y713-F733 HydrophobicContact CD1-CE2 4.44Å; Y713-F733 AromaticContact CD1-CZ 3.76Å; Y713-F733 HydrophobicContact CD1-CZ 3.76Å; Y713-F733 AromaticContact CE1-CE2 3.86Å; Y713-F733 HydrophobicContact CE1-CE2 3.86Å; Y713-F733 AromaticContact CE1-CZ 3.6Å; Y713-F733 HydrophobicContact CE1-CZ 3.6Å
714	F	84.8	Confident	61.4	Low	22 Å²	22	96.7 Å²	96.7	10%	0.096	51%	0.511	C	S	.	.	S	Bend	trans	-96.5	126.9	172.8	-58.1	-72.4	0	0	0	109	F675 H676 L680 M712 L729 F733	F675-F714 HydrophobicContact CD1-CD2 4.47Å; F675-F714 HydrophobicContact CD1-CE2 4.03Å; F675-F714 HydrophobicContact CE1-CD2 4.27Å; F675-F714 AromaticContact CE1-CE2 3.93Å; F675-F714 HydrophobicContact CE1-CE2 3.93Å; H676-F714 HydrophobicContact CB-CD2 4.29Å; H676-F714 HydrophobicContact CB-CE2 4.17Å; H676-F714 AromaticContact CD2-CD1 3.54Å; H676-F714 AromaticContact CD2-CD2 3.74Å; H676-F714 AromaticContact CD2-CE1 3.86Å; H676-F714 AromaticContact CD2-CG 3.48Å; H676-F714 VanDerWaalsContact CD2-CG 3.48Å; H676-F714 WeakPolarHBondContact CD2-CG 3.48Å; L680-F714 HydrophobicContact CD2-CB 3.83Å; L680-F714 HydrophobicContact CG-CB 4.29Å; M712-F714 WeakPolarHBondContact CB-O 3.36Å; F714-L729 HydrophobicContact CE1-CD1 4.26Å; F714-L729 HydrophobicContact CE1-CD2 4Å; F714-L729 HydrophobicContact CZ-CD1 3.94Å; F714-L729 HydrophobicContact CZ-CD2 3.55Å; F714-L729 HydrophobicContact CZ-CG 4.37Å; F714-F733 HydrophobicContact CE1-CZ 4.47Å; F714-F733 HydrophobicContact CE2-CE1 4.08Å; F714-F733 AromaticContact CE2-CZ 3.85Å; F714-F733 HydrophobicContact CE2-CZ 3.85Å; F714-F733 HydrophobicContact CZ-CE1 4.07Å; F714-F733 AromaticContact CZ-CE2 3.78Å; F714-F733 HydrophobicContact CZ-CE2 3.78Å; F714-F733 AromaticContact CZ-CZ 3.47Å; F714-F733 HydrophobicContact CZ-CZ 3.47Å; F714-F733 VanDerWaalsContact CZ-CZ 3.47Å
715	R	81.9	Confident	61.7	Low	133 Å²	133	90.6 Å²	90.6	50%	0.502	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-98.1	138.4	-178.7	-63.6	-177.5	179.7	-163.2	-6.9	110.5	L680 D683 D708	L680-R715 VanDerWaalsContact CD2-C 3.48Å; L680-R715 WeakPolarHBondContact CD2-O 3.24Å; D683-R715 VanDerWaalsContact OD2-CA 3.23Å; D683-R715 WeakPolarHBondContact OD2-CA 3.18Å; D708-R715 PolarHBondContact O-NH2 3.19Å; D708-R715 IonicContact OD1-CZ 2.7Å; D708-R715 IonicContact OD1-NH1 3.62Å; D708-R715 PolarHBondContact OD1-NH1 3.5Å; D708-R715 IonicContact OD1-NH2 3.25Å
716	A	76.6	Confident	62.5	Low	21 Å²	21	88.8 Å²	88.8	17%	0.174	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-66.5	133.7	168.5	0	0	0	0	0	109.2	D683 E684 G718	D683-A716 HydrophobicContact CB-CB 4.48Å; D683-A716 PolarHBondContact OD2-N 3.43Å; E684-A716 HydrophobicContact CB-CB 3.88Å; A716-G718 PolarHBondContact O-N 3.26Å
717	T	71.6	Confident	62.8	Low	72 Å²	72	88.7 Å²	88.7	44%	0.442	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-63.7	133.1	173.3	45.5	0	0	0	0	109.7	D721	T717-D721 HydrophobicContact CG2-CB 4.12Å
718	G	62.3	Low	63.5	Low	22 Å²	22	90.7 Å²	90.7	23%	0.227	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-65.3	166.1	170.3	0	0	0	0	0	111.4	A716 H720 D721	A716-G718 PolarHBondContact O-N 3.26Å; G718-H720 PolarHBondContact O-N 3.22Å; G718-D721 PolarHBondContact N-OD2 3.32Å; G718-D721 PolarHBondContact O-N 2.93Å
719	P	53.7	Low	64.4	Low	126 Å²	126	85.7 Å²	85.7	82%	0.818	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-8.5	177.7	21.8	-31.5	0	0	0	114.6
720	H	52.6	Low	64.7	Low	181 Å²	181	81.3 Å²	81.3	84%	0.838	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	1.4	178.3	-66.1	-59.9	0	0	0	114.7	G718	G718-H720 PolarHBondContact O-N 3.22Å
721	D	54.8	Low	64.7	Low	104 Å²	104	82 Å²	82	56%	0.556	44%	0.443	S	S	*	.	S	Bend	trans	-92.2	135.1	-178.6	-70.2	-35.2	0	0	0	111.9	T717 G718	T717-D721 HydrophobicContact CG2-CB 4.12Å; G718-D721 PolarHBondContact N-OD2 3.32Å; G718-D721 PolarHBondContact O-N 2.93Å
722	T	50.3	Low	64.2	Low	134 Å²	134	75 Å²	75	82%	0.822	42%	0.418	S	S	*	.			trans	-66	132.9	172.4	40.9	0	0	0	0	111.3	G724	T722-G724 PolarHBondContact O-N 3.47Å
723	L	48.9	Very low	63.7	Low	152 Å²	152	74 Å²	74	80%	0.796	41%	0.413	S	S	*	.			trans	-60.9	100	177.9	-119	105.3	0	0	0	111.1
724	G	52.5	Low	63.2	Low	64 Å²	64	73.2 Å²	73.2	66%	0.66	41%	0.411	S	S	*	.			trans	-97.6	96.5	160.9	0	0	0	0	0	109.2	T722	T722-G724 PolarHBondContact O-N 3.47Å
725	T	50.5	Low	62.6	Low	88 Å²	88	72.6 Å²	72.6	54%	0.54	41%	0.408	S	S	.	.			trans	-58.8	129.5	162.5	3.8	0	0	0	0	107.8	E727	T725-E727 PolarHBondContact O-N 3.21Å
726	P	56.4	Low	61.8	Low	42 Å²	42	67 Å²	67	27%	0.273	39%	0.389	S	S	.	.			trans	-62.1	110.8	173.6	23.2	-29.5	0	0	0	107.9	H676 F728 L729	H676-P726 VanDerWaalsContact NE2-CG 3.3Å; H676-P726 WeakPolarHBondContact NE2-CG 3.29Å; P726-F728 PolarHBondContact O-N 3.16Å; P726-L729 HydrophobicContact CB-CG 4.42Å; P726-L729 HydrophobicContact CG-CD1 4.01Å; P726-L729 HydrophobicContact CG-CG 4.27Å
727	E	51.7	Low	60.9	Low	151 Å²	151	66.5 Å²	66.5	71%	0.706	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-9.3	-171.9	-73.3	-177.9	155.9	0	0	113.4	T725	T725-E727 PolarHBondContact O-N 3.21Å
728	F	58.7	Low	59.9	Low	140 Å²	140	63.6 Å²	63.6	61%	0.614	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142	52.5	-166.3	-52.1	-71.8	0	0	0	115.6	P726	P726-F728 PolarHBondContact O-N 3.16Å
729	L	67.6	Low	59.4	Low	3 Å²	3	62.9 Å²	62.9	2%	0.016	36%	0.359	C	S	.	.			trans	-90.6	108.9	164.4	-63.9	178.7	0	0	0	110.7	L668 H676 F714 P726 F733	L668-L729 PolarHBondContact N-O 2.9Å; H676-L729 HydrophobicContact CB-CD1 3.44Å; H676-L729 VanDerWaalsContact CB-CD1 3.44Å; H676-L729 VanDerWaalsContact CG-CD1 3.44Å; F714-L729 HydrophobicContact CE1-CD1 4.26Å; F714-L729 HydrophobicContact CE1-CD2 4Å; F714-L729 HydrophobicContact CZ-CD1 3.94Å; F714-L729 HydrophobicContact CZ-CD2 3.55Å; F714-L729 HydrophobicContact CZ-CG 4.37Å; P726-L729 HydrophobicContact CB-CG 4.42Å; P726-L729 HydrophobicContact CG-CD1 4.01Å; P726-L729 HydrophobicContact CG-CG 4.27Å; L729-F733 HydrophobicContact CD2-CD2 3.56Å; L729-F733 HydrophobicContact CD2-CE2 3.88Å; L729-F733 HydrophobicContact CD2-CG 4.05Å
730	S	68.7	Low	59.4	Low	21 Å²	21	57.1 Å²	57.1	15%	0.147	32%	0.321	C	S	.	.			trans	-100.8	165.5	171	74	0	0	0	0	110.9	S732 F733	S730-S732 PolarHBondContact O-N 2.97Å; S730-S732 PolarHBondContact OG-N 3.16Å; S730-F733 PolarHBondContact O-N 3.27Å; S730-F733 VanDerWaalsContact O-N 3.17Å
731	S	68.3	Low	59.2	Low	31 Å²	31	49 Å²	49	22%	0.217	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-16.6	178.1	64.8	0	0	0	0	114.2	E663	E663-S731 VanDerWaalsContact OE2-CB 3.28Å; E663-S731 WeakPolarHBondContact OE2-CB 3.48Å; E663-S731 PolarHBondContact OE2-OG 3.02Å
732	S	67.2	Low	58.8	Low	15 Å²	15	44.4 Å²	44.4	11%	0.105	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-16.6	-179.1	-45.7	0	0	0	0	114	S730 F735	S730-S732 PolarHBondContact O-N 2.97Å; S730-S732 PolarHBondContact OG-N 3.16Å; S732-F735 CarbonylContact C-O 3.12Å; S732-F735 WeakPolarHBondContact CB-O 3.42Å; S732-F735 CarbonylContact O-C 3.43Å; S732-F735 PolarHBondContact O-N 3.43Å
733	F	74.4	Confident	58.7	Low	11 Å²	11	39.6 Å²	39.6	5%	0.048	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	143.9	-176.1	176	-75	0	0	0	113	H89 L547 I672 F675 Y713 F714 L729 S730 F735	H89-F733 HydrophobicContact CB-CD2 4.09Å; H89-F733 HydrophobicContact CB-CE2 3.77Å; L547-F733 HydrophobicContact CD2-CE1 3.64Å; L547-F733 HydrophobicContact CD2-CZ 3.65Å; I672-F733 HydrophobicContact CD1-CB 3.67Å; I672-F733 HydrophobicContact CD1-CD1 3.33Å; I672-F733 HydrophobicContact CD1-CE1 4.29Å; I672-F733 HydrophobicContact CD1-CG 3.84Å; I672-F733 HydrophobicContact CG1-CB 3.81Å; I672-F733 HydrophobicContact CG1-CD1 4.15Å; I672-F733 HydrophobicContact CG1-CG 4.22Å; F675-F733 HydrophobicContact CE1-CE1 4.2Å; Y713-F733 HydrophobicContact CD1-CE2 4.44Å; Y713-F733 AromaticContact CD1-CZ 3.76Å; Y713-F733 HydrophobicContact CD1-CZ 3.76Å; Y713-F733 AromaticContact CE1-CE2 3.86Å; Y713-F733 HydrophobicContact CE1-CE2 3.86Å; Y713-F733 AromaticContact CE1-CZ 3.6Å; Y713-F733 HydrophobicContact CE1-CZ 3.6Å; F714-F733 HydrophobicContact CE1-CZ 4.47Å; F714-F733 HydrophobicContact CE2-CE1 4.08Å; F714-F733 AromaticContact CE2-CZ 3.85Å; F714-F733 HydrophobicContact CE2-CZ 3.85Å; F714-F733 HydrophobicContact CZ-CE1 4.07Å; F714-F733 AromaticContact CZ-CE2 3.78Å; F714-F733 HydrophobicContact CZ-CE2 3.78Å; F714-F733 AromaticContact CZ-CZ 3.47Å; F714-F733 HydrophobicContact CZ-CZ 3.47Å; F714-F733 VanDerWaalsContact CZ-CZ 3.47Å; L729-F733 HydrophobicContact CD2-CD2 3.56Å; L729-F733 HydrophobicContact CD2-CE2 3.88Å; L729-F733 HydrophobicContact CD2-CG 4.05Å; S730-F733 PolarHBondContact O-N 3.27Å; S730-F733 VanDerWaalsContact O-N 3.17Å; F733-F735 VanDerWaalsContact C-N 3.32Å
734	P	72.9	Confident	58.2	Low	5 Å²	5	41.8 Å²	41.8	3%	0.032	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83.4	-4	1.1	33.1	-34.9	0	0	0	113.8	T482 L547	T482-P734 HydrophobicContact CG2-CG 3.68Å; L547-P734 HydrophobicContact CD1-CB 3.63Å; L547-P734 HydrophobicContact CD1-CG 4.04Å; L547-P734 HydrophobicContact CD2-CB 4.27Å
735	F	73.8	Confident	57.5	Low	9 Å²	9	41.6 Å²	41.6	4%	0.039	21%	0.213	C	C	.	.	S	Bend	trans	-88.4	126.6	-177.6	-58.4	-76.7	0	0	0	110.3	Y90 T482 A485 V486 L655 R659 S732 F733	Y90-F735 AromaticContact CD1-CD1 3.88Å; Y90-F735 HydrophobicContact CD1-CD1 3.88Å; Y90-F735 AromaticContact CD1-CE1 3.73Å; Y90-F735 HydrophobicContact CD1-CE1 3.73Å; Y90-F735 AromaticContact CE1-CD1 3.93Å; Y90-F735 HydrophobicContact CE1-CD1 3.93Å; Y90-F735 AromaticContact CE1-CE1 3.41Å; Y90-F735 HydrophobicContact CE1-CE1 3.41Å; Y90-F735 VanDerWaalsContact CE1-CE1 3.41Å; Y90-F735 HydrophobicContact CE1-CZ 4.4Å; Y90-F735 HydrophobicContact CG-CE1 4.48Å; Y90-F735 AromaticContact CZ-CE1 3.9Å; T482-F735 HydrophobicContact CG2-CE2 3.89Å; T482-F735 HydrophobicContact CG2-CZ 3.83Å; A485-F735 HydrophobicContact CB-CE2 4.28Å; A485-F735 HydrophobicContact CB-CZ 4.31Å; V486-F735 HydrophobicContact CG2-CE1 4.31Å; V486-F735 HydrophobicContact CG2-CZ 3.86Å; L655-F735 HydrophobicContact CD1-CD2 4.1Å; L655-F735 HydrophobicContact CD2-CD2 4.31Å; L655-F735 HydrophobicContact CD2-CE2 3.93Å; L655-F735 HydrophobicContact CG-CD2 4.23Å; L655-F735 HydrophobicContact CG-CE2 4.31Å; R659-F735 HydrophobicContact CG-CB 4.02Å; R659-F735 HydrophobicContact CG-CD2 4.38Å; R659-F735 HydrophobicContact CG-CG 4.19Å; S732-F735 CarbonylContact C-O 3.12Å; S732-F735 WeakPolarHBondContact CB-O 3.42Å; S732-F735 CarbonylContact O-C 3.43Å; S732-F735 PolarHBondContact O-N 3.43Å; F733-F735 VanDerWaalsContact C-N 3.32Å
736	S	63.5	Low	57.1	Low	15 Å²	15	44.3 Å²	44.3	11%	0.105	22%	0.222	C	C	.	.			trans	-82.3	135.3	164.9	-171	0	0	0	0	108.1	Q86 V738	Q86-S736 WeakPolarHBondContact CG-OG 3.4Å; S736-V738 PolarHBondContact O-N 2.95Å
737	P	57.7	Low	56	Low	10 Å²	10	50 Å²	50	7%	0.065	25%	0.249	C	C	.	.			trans	-65.8	108.4	178.2	25.8	-31.5	0	0	0	109.4	Q86	Q86-P737 PolarHBondContact NE2-O 3.27Å
738	V	52.3	Low	55.4	Low	12 Å²	12	44.5 Å²	44.5	7%	0.073	23%	0.233	C	C	.	.			trans	-126	26.7	177.5	176.3	0	0	0	0	112.9	F88 H98 S736	F88-V738 HydrophobicContact CE1-CG2 4.16Å; F88-V738 HydrophobicContact CE2-CB 4.31Å; F88-V738 HydrophobicContact CE2-CG2 3.4Å; F88-V738 VanDerWaalsContact CE2-CG2 3.4Å; F88-V738 HydrophobicContact CZ-CB 3.58Å; F88-V738 HydrophobicContact CZ-CG1 4.1Å; F88-V738 HydrophobicContact CZ-CG2 3.07Å; H98-V738 WeakPolarHBondContact ND1-CG1 3.33Å; S736-V738 PolarHBondContact O-N 2.95Å
739	G	50.3	Low	54.6	Low	6 Å²	6	38.7 Å²	38.7	6%	0.062	21%	0.21	C	C	.	.	S	Bend	trans	-98.3	137.4	158.7	0	0	0	0	0	109.5	W660 L741	W660-G739 VanDerWaalsContact O-O 3.06Å; G739-L741 PolarHBondContact O-N 2.83Å
740	N	54.4	Low	53.4	Low	5 Å²	5	39.8 Å²	39.8	3%	0.027	22%	0.217	C	C	.	.			trans	-77.9	69.6	178.9	-44.6	-11.8	0	0	0	108.2	C54 I143 R145 C742	C54-N740 PolarHBondContact O-ND2 2.71Å; I143-N740 CarbonylContact O-C 3.56Å; I143-N740 VanDerWaalsContact O-CA 3.24Å; I143-N740 WeakPolarHBondContact O-CA 3.29Å; I143-N740 WeakPolarHBondContact O-CB 3.08Å; I143-N740 PolarHBondContact O-N 3.18Å; R145-N740 PolarHBondContact N-ND2 2.95Å; N740-C742 PolarHBondContact O-N 3.05Å
741	L	49.5	Very low	52.2	Low	11 Å²	11	40.4 Å²	40.4	6%	0.058	22%	0.218	C	C	.	.			trans	-77.4	81.2	159.4	-69.8	172.9	0	0	0	106.4	I143 V350 W660 V661 G739 R743	I143-L741 HydrophobicContact CD1-CD2 4.04Å; I143-L741 HydrophobicContact CG1-CD2 4.29Å; V350-L741 HydrophobicContact CB-CD2 4.22Å; V350-L741 HydrophobicContact CG1-CD2 4.19Å; W660-L741 HydrophobicContact CB-CD1 4.24Å; V661-L741 HydrophobicContact CB-CD1 4.17Å; V661-L741 HydrophobicContact CG2-CD1 3.23Å; V661-L741 HydrophobicContact CG2-CG 4.47Å; G739-L741 PolarHBondContact O-N 2.83Å; L741-R743 PolarHBondContact O-N 2.82Å
742	C	45.9	Very low	50.9	Low	8 Å²	8	41.8 Å²	41.8	5%	0.054	23%	0.228	C	C	.	.			trans	-58.7	72.5	171.5	-69.5	0	0	0	0	110.6	T57 E352 N740	T57-C742 HydrophobicContact CG2-CB 3.43Å; T57-C742 VanDerWaalsContact CG2-CB 3.43Å; T57-C742 WeakPolarHBondContact CG2-O 2.81Å; E352-C742 VanDerWaalsContact CD-O 3.28Å; N740-C742 PolarHBondContact O-N 3.05Å
743	R	47	Very low	49.5	Very low	33 Å²	33	48.1 Å²	48.1	13%	0.125	25%	0.254	C	S	.	.			trans	-83.9	117.8	172.7	-69.5	179.9	-179.2	-149.8	-1.1	108.8	T57 E352 V661 L741 S745	T57-R743 PolarHBondContact OG1-O 3.18Å; E352-R743 WeakPolarHBondContact OE1-CA 3.31Å; E352-R743 VanDerWaalsContact OE1-CG 3.22Å; E352-R743 WeakPolarHBondContact OE1-CG 3.4Å; V661-R743 VanDerWaalsContact CG2-NH2 3.33Å; L741-R743 PolarHBondContact O-N 2.82Å; R743-S745 PolarHBondContact O-N 3.07Å
744	R	38.8	Very low	47.9	Very low	198 Å²	198	55.9 Å²	55.9	75%	0.747	29%	0.288	S	S	*	.	S	Bend	trans	-61.5	121.7	166.9	-76.6	179.7	174	179	-1.6	107.2	T57	T57-R744 HydrophobicContact CG2-CG 4.26Å; T57-R744 WeakPolarHBondContact OG1-CA 3.48Å
745	S	38.2	Very low	46.2	Very low	59 Å²	59	60.3 Å²	60.3	41%	0.413	31%	0.311	S	S	.	.			trans	86.1	98.8	-176.3	92.5	0	0	0	0	115.1	E355 R743 L747	E355-S745 PolarHBondContact OE1-OG 3.33Å; R743-S745 PolarHBondContact O-N 3.07Å; S745-L747 VanDerWaalsContact C-N 3.26Å; S745-L747 PolarHBondContact O-N 2.81Å; S745-L747 VanDerWaalsContact O-N 3.08Å
746	I	41.9	Very low	44.4	Very low	145 Å²	145	63.7 Å²	63.7	74%	0.744	34%	0.335	S	S	*	.	S	Bend	trans	-74.8	89.2	156.8	-64.1	171.2	0	0	0	106
747	L	34.1	Very low	42.9	Very low	161 Å²	161	66.1 Å²	66.1	84%	0.843	36%	0.363	S	S	*	.	S	Bend	trans	-165.1	81.9	149.6	-100.5	168.3	0	0	0	108.1	S745	S745-L747 VanDerWaalsContact C-N 3.26Å; S745-L747 PolarHBondContact O-N 2.81Å; S745-L747 VanDerWaalsContact O-N 3.08Å
748	G	39.2	Very low	41.4	Very low	36 Å²	36	69.2 Å²	69.2	37%	0.371	39%	0.389	S	S	.	.			trans	104.2	116.1	166.4	0	0	0	0	0	114.6
749	T	40.2	Very low	40.3	Very low	19 Å²	19	76.6 Å²	76.6	12%	0.117	42%	0.421	C	S	.	.	S	Bend	trans	-53.3	169.5	143.1	38.6	0	0	0	0	109.7	V661 L751 S752	V661-T749 HydrophobicContact CG1-CG2 3.58Å; T749-L751 PolarHBondContact O-N 3.31Å; T749-S752 PolarHBondContact O-N 3.29Å
750	P	43.3	Very low	39.3	Very low	26 Å²	26	84 Å²	84	17%	0.169	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-3.4	173.7	24.3	-35.5	0	0	0	113.9	F354 E358	F354-P750 HydrophobicContact CE1-CB 3.66Å; F354-P750 HydrophobicContact CE1-CG 3.72Å; F354-P750 HydrophobicContact CE2-CG 4.41Å; F354-P750 HydrophobicContact CZ-CB 3.66Å; F354-P750 HydrophobicContact CZ-CG 3.38Å; E358-P750 HydrophobicContact CG-CB 4.11Å; E358-P750 WeakPolarHBondContact OE1-CA 3.27Å
751	L	44.2	Very low	37.9	Very low	33 Å²	33	93.5 Å²	93.5	17%	0.173	49%	0.493	C	S	.	.	H	α-helix	trans	-78.2	-12.4	174.1	-98.8	80.8	0	0	0	114.3	T749 K753 F754 L755	T749-L751 PolarHBondContact O-N 3.31Å; L751-K753 VanDerWaalsContact C-N 3.31Å; L751-K753 PolarHBondContact O-N 3.26Å; L751-F754 PolarHBondContact O-N 2.77Å; L751-F754 VanDerWaalsContact O-N 3.11Å; L751-L755 HydrophobicContact CB-CD1 3.86Å; L751-L755 HydrophobicContact CB-CG 3.94Å; L751-L755 HydrophobicContact CD2-CD1 3.68Å; L751-L755 HydrophobicContact CD2-CD2 4.03Å; L751-L755 HydrophobicContact CD2-CG 3.77Å; L751-L755 HydrophobicContact CG-CD1 4.25Å; L751-L755 HydrophobicContact CG-CG 4.08Å; L751-L755 VanDerWaalsContact O-CB 3.22Å; L751-L755 WeakPolarHBondContact O-CB 3.31Å; L751-L755 WeakPolarHBondContact O-CG 3.25Å; L751-L755 PolarHBondContact O-N 3.39Å
752	S	40.3	Very low	37.1	Very low	60 Å²	60	100.6 Å²	100.6	42%	0.42	53%	0.53	S	S	.	.	H	α-helix	trans	-62.1	-39.5	-178	68.3	0	0	0	0	112	T749 S756	T749-S752 PolarHBondContact O-N 3.29Å; S752-S756 VanDerWaalsContact O-CB 3.32Å; S752-S756 WeakPolarHBondContact O-CB 3.47Å; S752-S756 PolarHBondContact O-N 3.49Å; S752-S756 PolarHBondContact O-OG 3.36Å
753	K	38.6	Very low	36.2	Very low	149 Å²	149	105.1 Å²	105.1	65%	0.648	56%	0.562	S	S	*	*	H	α-helix	trans	-76.1	-29.6	171.2	-74.5	-179.4	179.1	168.5	0	113.5	L751 S756	L751-K753 VanDerWaalsContact C-N 3.31Å; L751-K753 PolarHBondContact O-N 3.26Å; K753-S756 PolarHBondContact O-OG 2.96Å
754	F	39.2	Very low	35.3	Very low	174 Å²	174	109.2 Å²	109.2	76%	0.763	59%	0.591	S	S	*	*	H	α-helix	trans	-80.1	-31.6	-178.7	-155.9	-92.2	0	0	0	113.4	L751	L751-F754 PolarHBondContact O-N 2.77Å; L751-F754 VanDerWaalsContact O-N 3.11Å
755	L	38.2	Very low	34.9	Very low	97 Å²	97	108.2 Å²	108.2	51%	0.508	59%	0.594	S	S	.	*	H	α-helix	trans	-90.2	-19.3	-179	-69.7	177.7	0	0	0	113.5	I666 L751 G757	I666-L755 HydrophobicContact CD1-CD1 4.09Å; L751-L755 HydrophobicContact CB-CD1 3.86Å; L751-L755 HydrophobicContact CB-CG 3.94Å; L751-L755 HydrophobicContact CD2-CD1 3.68Å; L751-L755 HydrophobicContact CD2-CD2 4.03Å; L751-L755 HydrophobicContact CD2-CG 3.77Å; L751-L755 HydrophobicContact CG-CD1 4.25Å; L751-L755 HydrophobicContact CG-CG 4.08Å; L751-L755 VanDerWaalsContact O-CB 3.22Å; L751-L755 WeakPolarHBondContact O-CB 3.31Å; L751-L755 WeakPolarHBondContact O-CG 3.25Å; L751-L755 PolarHBondContact O-N 3.39Å; L755-G757 PolarHBondContact O-N 3.44Å; L755-G757 VanDerWaalsContact O-N 3.17Å
756	S	35.3	Very low	34.5	Very low	80 Å²	80	111.2 Å²	111.2	56%	0.559	61%	0.61	S	S	*	*	S	Bend	trans	-74.4	2.9	-178.7	45.8	0	0	0	0	114.3	S752 K753 A758	S752-S756 VanDerWaalsContact O-CB 3.32Å; S752-S756 WeakPolarHBondContact O-CB 3.47Å; S752-S756 PolarHBondContact O-N 3.49Å; S752-S756 PolarHBondContact O-OG 3.36Å; K753-S756 PolarHBondContact O-OG 2.96Å; S756-A758 PolarHBondContact O-N 3.08Å
757	G	31.6	Very low	33.7	Very low	66 Å²	66	112.6 Å²	112.6	68%	0.68	62%	0.618	S	S	*	*			trans	58.1	25.2	171.1	0	0	0	0	0	113.5	L755 K759	L755-G757 PolarHBondContact O-N 3.44Å; L755-G757 VanDerWaalsContact O-N 3.17Å; G757-K759 PolarHBondContact O-N 2.9Å
758	A	27.7	Very low	33.6	Very low	76 Å²	76	108.4 Å²	108.4	63%	0.628	61%	0.607	S	S	*	*			trans	-67.3	100.8	172.8	0	0	0	0	0	107.4	S756 I760	S756-A758 PolarHBondContact O-N 3.08Å; A758-I760 PolarHBondContact O-N 3.18Å; A758-I760 VanDerWaalsContact O-N 3.11Å
759	K	29.5	Very low	33.1	Very low	167 Å²	167	113.1 Å²	113.1	73%	0.726	62%	0.623	S	S	*	*			trans	-42.5	123.2	156.2	-76.1	177.9	177.7	175.6	0	106.3	G757 W761	G757-K759 PolarHBondContact O-N 2.9Å; K759-W761 PolarHBondContact O-N 3.18Å
760	I	28.9	Very low	32.8	Very low	161 Å²	161	119.9 Å²	119.9	83%	0.826	65%	0.654	S	S	*	*			trans	-62	85.8	166.4	-58.8	169	0	0	0	105.8	A758	A758-I760 PolarHBondContact O-N 3.18Å; A758-I760 VanDerWaalsContact O-N 3.11Å
761	W	25.4	Very low	32.3	Very low	204 Å²	204	129.7 Å²	129.7	77%	0.773	71%	0.705	S	S	*	*			trans	-89.3	100.7	157.8	-87.6	87.9	0	0	0	105	K759 S763	K759-W761 PolarHBondContact O-N 3.18Å; W761-S763 VanDerWaalsContact C-N 3.35Å; W761-S763 PolarHBondContact O-N 3.04Å; W761-S763 VanDerWaalsContact O-N 3.09Å
762	L	32.5	Very low	31.7	Very low	160 Å²	160	134.5 Å²	134.5	84%	0.838	73%	0.731	S	S	*	*			trans	-59.2	104.5	153.9	-82.7	150.8	0	0	0	106.3
763	S	26.7	Very low	31.2	Very low	104 Å²	104	138.4 Å²	138.4	73%	0.727	75%	0.748	S	S	*	*			trans	-107.1	108.9	161.9	56.8	0	0	0	0	108.6	W761	W761-S763 VanDerWaalsContact C-N 3.35Å; W761-S763 PolarHBondContact O-N 3.04Å; W761-S763 VanDerWaalsContact O-N 3.09Å
764	T	28.7	Very low	30.8	Very low	119 Å²	119	137.8 Å²	137.8	73%	0.73	75%	0.753	S	S	*	*			trans	-45.8	156	156.5	36.6	0	0	0	0	113.7
765	E	28.9	Very low	30.3	Very low	176 Å²	176	135.7 Å²	135.7	82%	0.822	75%	0.752	S	S	*	*			trans	72.4	133.5	163	-66.2	171.2	174.8	0	0	115.1
766	T	29.3	Very low	29.8	Very low	122 Å²	122	138.1 Å²	138.1	75%	0.748	77%	0.768	S	S	*	*			cis	-171.8	145.2	11.4	8.9	0	0	0	0	104.6
767	L	26.6	Very low	29.5	Very low	175 Å²	175	142 Å²	142	92%	0.916	78%	0.782	S	S	*	*			trans	-163	91.4	134.6	-100	167.8	0	0	0	106.8
768	A	32.4	Very low	29.3	Very low	72 Å²	72	147.4 Å²	147.4	60%	0.595	79%	0.789	S	S	*	*			trans	-72.5	163.3	149.6	0	0	0	0	0	109
769	N	28.7	Very low	29.4	Very low	135 Å²	135	152.9 Å²	152.9	72%	0.722	80%	0.801	S	S	*	*			trans	87.8	130.2	174.6	-58	11.5	0	0	0	113.2
770	E	32.3	Very low	29.4	Very low	161 Å²	161	151.8 Å²	151.8	75%	0.752	81%	0.808	S	S	*	*			cis	-162.8	154.6	16.2	-120.1	162.9	-138.8	0	0	109.2
771	D	32.7	Very low	29.5	Very low	232 Å²	232	150.9 Å²	150.9	100%	1.241	81%	0.806	S	S	*	*			trans	72.8	0	174.1	-61.7	-18.6	0	0	0	121.5

Retrieved 771 of 771 residues in 413 ms (Link to these results)

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